SCHEMBL5454958

SCHEMBL5454958

Cc1ccc(NC(=S)NCCO)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 3/20 1.00
ALOX12 P18054 6/20 0.68
ALDH1A1 P00352 5/20 0.68
LMNA P02545 4/20 0.68
L3MBTL1 Q9Y468 2/20 0.68
HTT P42858 3/20 0.66
SMN1; SMN2 Q16637 4/20 0.64
GAA P10253 3/20 0.64
TDP1 Q9NUW8 1/20 0.64
MCHR1 Q99705 1/20 0.59
HPGD P15428 1/20 0.57

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
SCHEMBL11814225 0.91 KMT2A (0.83) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL11515272 0.87 KMT2A (0.77) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL11757368 0.84 SMN1; SMN2 (0.78) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL11514074 0.84 KMT2A (0.73) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL11512166 0.83 KMT2A (0.71) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL11755573 0.83 KMT2A (0.71) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL11808136 0.83 KMT2A (0.71) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL31388347 0.82 KMT2A (0.71) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL11770005 0.82 KMT2A (0.69) KMT2AMEN1ALOX12ALDH1A1LMNA
SCHEMBL11808705 0.81 KMT2A (0.68) KMT2AMEN1ALOX12ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3950538-A Anti-inflammatory methods utilizing certain thioureas THE DOW CHEMICAL COMPANY (US) 1976-04-13 US claimed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 WO disclosed
US-4009284-A Gastrointestinally active thioureas ROHM AND HAAS COMPANY (US) 1977-02-22 US disclosed
US-3975433-A ANTIDEPRESSANT, PARASITICIDE THE DOW CHEMICAL COMPANY (US) 1976-08-17 US disclosed
US-3950538-A Anti-inflammatory methods utilizing certain thioureas THE DOW CHEMICAL COMPANY (US) 1976-04-13 US disclosed
US-3950537-A Gastrointestinally active thioureas ROHM AND HAAS COMPANY (US) 1976-04-13 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 (2 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-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KMT2A 1772/4885MEN1 3621/4885ALOX12 4602/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 KMT2A 1772/4885MEN1 3621/4885ALOX12 4602/4885

“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.