SCHEMBL672473

SCHEMBL672473

O=C(O)Nc1ccc(C#CCI)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2C19 P33261 2/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
HTT P42858 1/20 0.45
PTPN11 Q06124 5/20 0.45
PTPN6 P29350 2/20 0.41
PTPN1 P18031 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18284326 0.84 RAB9A (0.52) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL25231242 0.84 CYP2C19 (0.52) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL25284530 0.82 BLM (0.53) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6789960 0.80 ALDH1A1 (0.47) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL8939614 0.79 RAB9A (0.64) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL11117957 0.77 RAB9A (0.57) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10778839 0.74 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2KMT2ANPC1MAPT
SCHEMBL16346777 0.74 RAB9A (0.48) RAB9ASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL27872143 0.74 EPHX2 (0.42) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3122523 0.74 CYP2C19 (0.48) RAB9ASMN1; SMN2KDM4EMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230240953-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2023-08-03 US claimed
EP-4171531-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP Investments LLC (US) 2023-05-03 EP claimed
US-20220030862-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-02-03 US claimed
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ISP INVESTMENTS LLC (US) 2022-01-18 US claimed
WO-2022005930-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2022-01-06 WO claimed
EP-3886582-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP Investments LLC (US) 2021-10-06 EP claimed
WO-2020113211-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF ISP INVESTMENTS LLC (US) 2020-06-04 WO claimed
EP-3280449-B1 AN AQUEOUS MULTILAMELLAR COMPOSITION FOR DELIVERING HYDROPHOBIC SUBSTANCES ISP INVESTMENTS LLC (US) 2019-11-20 EP claimed
US-20180092357-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS ISP INVESTMENTS LLC (US) 2018-04-05 US claimed
US-20180092843-A1 AN AQUEOUS MULTILAMELLAR COMPOSITION FOR DELIVERING HYDROPHOBIC SUBSTANCES ISP INVESTMENTS LLC (US) 2018-04-05 US claimed
WO-2016154511-A1 SYNERGISTIC COMPOSITIONS OF DEHYDROACETIC ACID AND METHODS FOR REDUCING YELLOWING IN VARIOUS END-USER COMPOSITIONS ISP INVESTMENTS INC. (US) 2016-09-29 WO claimed
EP-2547208-B1 BIOCIDE POWDER FORMULATION TROY TECHNOLOGY II INC (US) 2016-07-27 EP claimed
US-20130310428-A1 THERMO-STABLE, ARSENIC-FREE SYNERGISTIC BIOCIDE CONCENTRATE COMPOSITION FOR POLYMER MATRICES AND PROCESS FOR PREPARING SAME ISP INVESTMENTS INC. (US) 2013-11-21 US claimed
US-20130195947-A1 BIOCIDE POWDER FORMULATION TROY TECHNOLOGY II, INC. 2013-08-01 US claimed
EP-2547208-A1 BIOCIDE POWDER FORMULATION Isp Investments Inc. (US) 2013-01-23 EP claimed
WO-2012024097-A1 THERMO-STABLE, ARSENIC-FREE SYNERGISTIC BIOCIDE CONCENTRATE COMPOSITION FOR POLYMER MATRICES AND PROCESS FOR PREPARING SAME ISP INVESTMENTS INC. (US) 2012-02-23 WO claimed
WO-2011116168-A1 BIOCIDE POWER FORMULATION ISP INVESTMENTS INC. (US) 2011-09-22 WO claimed
US-7951852-B2 Mixing a microbiocide such as iodopropynyl butyl carbamate with a dry lubricant such as calcium stearate or zinc stearate to form a free-flowing powder additive for polymer, plastic, or polymer-wood composites ISP INVESTMENTS INC. (US) 2011-05-31 US claimed
US-20060229381-A1 Free-flowing composition of a biocide and a processing additive therewith for incorporation into a polymer or plastic matrix product ISP INVESTMENTS INC. 2006-10-12 US claimed
US-20060013847-A1 Thermal stabilization of IPBC biocide ISP INVESTMENTS INC. 2006-01-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180092843-A1 AN AQUEOUS MULTILAMELLAR COMPOSITION FOR DELIVERING HYDROPHOBIC SUBSTANCES LIPA, PHOSPHO1, DAGLA RAB9A 3736/4885SMN1; SMN2 4222/4885KDM4E 2953/4885
US-20230240953-A1 AN ANTIMICROBIAL COMPOSITION, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF MPO, SPOUT1, ARG1 RAB9A 1895/4885SMN1; SMN2 3861/4885KDM4E 3897/4885
US-20180092357-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS PIEZO1, CASP1, PRNP RAB9A 4177/4885SMN1; SMN2 1139/4885KDM4E 3639/4885
US-20220030862-A1 SYNERGISTIC PRESERVATIVE COMPOSITIONS, PROCESS FOR PREPARING THE SAME AND METHOD OF USE THEREOF HPD, EBP, TET1 RAB9A 4741/4885SMN1; SMN2 3656/4885KDM4E 567/4885
US-11224222-B2 Synergistic compositions of dehydroacetic acid and methods for reducing yellowing in various end-user compositions ALAD, SCD, DHCR7 RAB9A 3330/4885SMN1; SMN2 3041/4885KDM4E 3071/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.