SCHEMBL43323

SCHEMBL43323

CCCN(CCC)C(=O)NC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.48
CA9 Q16790 7/20 0.48
CA2 P00918 4/20 0.48
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 6/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.33
ALDH2 P05091 1/20 0.33
MLYCD O95822 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL971151 0.90 CA12 (0.44) CA12CA9CA2TSHRMAPK1
SCHEMBL19883328 0.89 CA12 (0.42) CA12CA9CA2TSHRMAPK1
SCHEMBL19027649 0.85 NAMPT (0.38) CA12CA9CA2TSHRMAPK1
SCHEMBL5695570 0.85 CA12 (0.52) CA12CA9CA2ALDH1A1HPGD
SCHEMBL6560113 0.83 CA12 (0.45) CA12CA9CA2ALDH1A1CA1
SCHEMBL13900723 0.83 CA12 (0.39) CA12CA9CA2TSHRMAPK1
SCHEMBL19027442 0.81 ALDH1A1 (0.39) CA12CA9CA2TSHRMAPK1
SCHEMBL19027678 0.80 ALDH1A1 (0.54) CA12CA9CA2ALDH1A1NPSR1
SCHEMBL4572808 0.79 ALDH1A1 (0.38) CA12CA9CA2ALDH1A1CA1
SCHEMBL42386 0.78

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
WO-2022263994-A1 MULTIFOCAL DIFFRACTIVE SILICONE HYDROGEL CONTACT LENSES ALCON INC. (CH) 2022-12-22 WO disclosed
WO-2021181341-A1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC. (CH) 2021-09-16 WO disclosed
US-20210284806-A1 PHOTOCHROMIC POLYDIORGANOSILOXANE VINYLIC CROSSLINKERS ALCON INC. (CH) 2021-09-16 US disclosed
US-10779540-B2 Benzamide compounds and their use as herbicides BASF SE (DE) 2020-09-22 US disclosed
EP-3390372-B1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-06-03 EP disclosed
WO-2017102275-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-06-22 WO disclosed
EP-2210880-B1 Benzoxazinone derivatives MSD KK (JP) 2015-08-26 EP disclosed
US-8314094-B2 Benzoxazinone derivative MSD K.K (JP) 2012-11-20 US disclosed
US-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD K.K 2012-02-02 US disclosed
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 US disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 EP disclosed
US-6028033-A FOR CONTROLLING UNDESIRED VEGETATION BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed
EP-0815083-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-01-07 EP disclosed
WO-1996037471-A1 N-AMINOPYRIDONE DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-28 WO disclosed
CN-1027537-C Improvements in or relating to carbemate derivatives LILLY CO ELI (US) 1995-02-01 CN disclosed
EP-0296864-B1 PROCESS FOR PREPARING UREAS DOWELANCO (US) 1993-09-15 EP disclosed
US-4987233-A Process for preparing herbicidal ureas and insecticidal carbamates and carbamate derivatives ELI LILLY AND COMPANY (US) 1991-01-22 US disclosed
CN-1030233-A The improved method of preparation carbamate derivatives LILLY CO ELI (US) 1989-01-11 CN disclosed
EP-0296864-A2 Process for preparing ureas DOWELANCO (US) 1988-12-28 EP disclosed

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

For each of this compound's patents that has machine-readable text (4 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-20120028990-A1 3 ARYL OR HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE IDO1, TPH1, AHR CA12 4359/4885CA9 3713/4885CA2 1441/4885
US-10779540-B2 Benzamide compounds and their use as herbicides DDT, DNPH1, BBOX1 CA12 1561/4885CA9 508/4885CA2 26/4885
US-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 CA12 4864/4885CA9 4809/4885CA2 3478/4885
US-20120022078-A1 ARYL INDOLE DERIVATIVES IDO1, NAT1, IDO2 CA12 3449/4885CA9 1818/4885CA2 2026/4885

“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.