SCHEMBL5878686

SCHEMBL5878686

OCCNC(=S)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.64
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 2/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
ALOX12 P18054 1/20 0.57
HTT P42858 2/20 0.55
GAA P10253 1/20 0.53

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
SCHEMBL5878791 1.00 PKM (0.64) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL5878752 0.90 KMT2A (0.53) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL19420513 0.86 KMT2A (0.76) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL19420702 0.86 KMT2A (0.76) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL19420646 0.84 KMT2A (0.73) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL6541448 0.82 KMT2A (0.47) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL7153461 0.81 ALDH1A1 (0.68) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL13684848 0.79 KMT2A (0.96) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL15224187 0.79 KMT2A (0.67) PKMKMT2AMEN1ALDH1A1CYP3A4
SCHEMBL7155917 0.79 PKM (0.50) PKMKMT2AMEN1ALDH1A1CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
US-6534542-B2 For alleviating chronic pain and allodynia and have no or only minimal cardivascular and/or sedatory activity ALLERGEN SALES, INC. 2003-03-18 US disclosed
US-20020161051-A1 (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors ALLERGAN SALES, INC. 2002-10-31 US 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 (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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 PKM 993/4885KMT2A 2508/4885MEN1 469/4885
US-20020161051-A1 (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors ADRA2B, ADRB2, ADRA2C PKM 3198/4885KMT2A 1750/4885MEN1 4841/4885
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 PKM 333/4885KMT2A 1772/4885MEN1 3621/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 PKM 993/4885KMT2A 2508/4885MEN1 469/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 PKM 333/4885KMT2A 1772/4885MEN1 3621/4885

“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.