SCHEMBL970982

SCHEMBL970982

[NH]C(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
TP53 P04637 3/20 0.65
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CASP1 P29466 1/20 0.48
CYP3A4 P08684 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL350009 0.82 SMN1; SMN2 (0.65) ALDH1A1TP53ERCC5FEN1TSHR
SCHEMBL8160214 0.81 ALDH1A1 (0.71) ALDH1A1TP53ERCC5FEN1TSHR
SCHEMBL6153483 0.80 CA1 (0.67) TP53TSHRSMN1; SMN2LMNAALOX15
SCHEMBL224469 0.79 ALDH1A1 (1.00) ALDH1A1TP53ERCC5FEN1TSHR
SCHEMBL10541315 0.79 ALDH1A1 (0.68) ALDH1A1TP53ERCC5FEN1TSHR
SCHEMBL699001 0.79 ALDH1A1 (0.68) ALDH1A1TP53ERCC5FEN1TSHR
SCHEMBL5667181 0.79 ALDH1A1 (0.68) ALDH1A1TP53ERCC5FEN1TSHR
SCHEMBL3038177 0.77 ALDH1A1 (0.65) ALDH1A1TP53ERCC5FEN1TSHR
SCHEMBL9586276 0.77 ALDH1A1 (0.65) ALDH1A1TP53ERCC5FEN1TSHR
Hydrochloric Acid SCHEMBL699002 0.77 ALDH1A1 (0.95) ALDH1A1TP53ERCC5FEN1TSHR

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-20110009463-A1 GERANYLGERANYL TRANSFERASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US claimed
WO-2009051772-A1 GERANYLGERANYL TRANSFERASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2009-04-23 WO claimed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US claimed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed
US-20110009463-A1 GERANYLGERANYL TRANSFERASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
WO-2009051772-A1 GERANYLGERANYL TRANSFERASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY (US) 2009-04-23 WO disclosed
US-4243584-A Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups BAYER AKTIENGESELLSCHAFT (DE) 1981-01-06 US disclosed
US-4159265-A Phenylazopyrazolo dyestuffs including disulfimide substituent BAYER AKTIENGESELLSCHAFT (DE) 1979-06-26 US disclosed
US-4022763-A Sulfaphenyl-azo-phenyl-azo-aminophenyl dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-3978039-A POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-24 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-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 ALDH1A1 218/4885TP53 276/4885ERCC5 2330/4885
US-20110009463-A1 GERANYLGERANYL TRANSFERASE INHIBITORS AND METHODS OF MAKING AND USING THE SAME FNTA, GGPS1, PTAR1 ALDH1A1 2906/4885TP53 2393/4885ERCC5 3530/4885

“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.