SCHEMBL4307544

SCHEMBL4307544

CS(=O)(=O)Nc1cc(CCl)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.43
IGF1R P08069 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
KIT P10721 1/20 0.39
BRAF P15056 1/20 0.39
KDM4D Q6B0I6 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL25847426 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDIGF1RSMN1; SMN2
SCHEMBL3126650 0.83 LOXL2 (0.45) KDM4EALDH1A1HPGDIGF1RSMN1; SMN2
SCHEMBL18924315 0.81 IGF1R (0.42) KDM4EALDH1A1HPGDIGF1RSMN1; SMN2
SCHEMBL21617733 0.77 BRD4 (0.49) KDM4EALDH1A1HPGDSLC22A12LMNA
SCHEMBL4311098 0.77 TYK2 (0.39) IGF1RPOLBKMT2A
SCHEMBL12460797 0.75 KDM4E (0.59) KDM4EALDH1A1HPGDSMN1; SMN2POLB
SCHEMBL27167048 0.74 ABL1 (0.47) KDM4EALDH1A1HPGDSLC22A12LMNA
SCHEMBL20197187 0.74 ALDH1A1 (0.40) KDM4EALDH1A1HPGDKDM4DSLC22A12
SCHEMBL4309482 0.73 L3MBTL1 (0.50) PIK3C3
Hydrochloric Acid SCHEMBL17161867 0.72 L3MBTL1 (0.49) PIK3C3

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-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents BAYER HEALTHCARE AG (DE) 2009-01-22 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1891047-A4 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2008-07-09 EP disclosed
EP-1891047-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer HealthCare AG (DE) 2008-02-27 EP disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2006133006-A2 1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER HEALTHCARE AG (DE) 2006-12-14 WO disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 WO 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 KDM4E 975/4885ALDH1A1 611/4885HPGD 2269/4885
US-20090023753-A1 1,3-Thiazole-5-Carboxamides Useful as Cancer Chemotherapeutic Agents MCL1, HDAC5, HDAC6 KDM4E 1674/4885ALDH1A1 370/4885HPGD 2813/4885

“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.