SCHEMBL698002

SCHEMBL698002

Cc1cc(C)c(N)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CD44 P16070 1/20 0.44
ALDH1A1 P00352 6/20 0.43
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.39
RAPGEF4 Q8WZA2 4/20 0.39
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL3014349 0.86 ALDH1A1 (0.58) KDM4ECD44ALDH1A1CYP3A4TSHR
SCHEMBL29617503 0.80 CD44 (0.41) CD44ALDH1A1CYP3A4TSHRTP53
SCHEMBL999991 0.80 CD44 (0.41) CD44ALDH1A1CYP3A4TSHRTP53
SCHEMBL139002 0.80 ALDH1A1 (0.65) KDM4EALDH1A1CYP3A4TSHRTP53
SCHEMBL30462201 0.79 CD44 (0.44) KDM4ECD44ALDH1A1CYP3A4TSHR
SCHEMBL203098 0.79 CD44 (0.44) KDM4ECD44ALDH1A1CYP3A4TSHR
SCHEMBL525350 0.79 CYP3A4 (0.65) CD44ALDH1A1CYP3A4TSHRTP53
SCHEMBL1392591 0.79 CYP3A4 (0.65) CD44ALDH1A1CYP3A4TSHRTP53
SCHEMBL5505433 0.79 CD44 (0.44) KDM4ECD44ALDH1A1CYP3A4TSHR
Bromide SCHEMBL2026165 0.78 CD44 (0.39) CD44ALDH1A1CYP3A4TSHRTP53

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 323 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1668082-B1 LAKED AZO RED PIGMENT AND PROCESSES FOR PREPARATION AND USE BASF CATALYSTS LLC (US) 2013-01-09 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
EP-1668082-A1 LAKED AZO RED PIGMENT AND PROCESSES FOR PREPARATION AND USE Engelhard Corporation (US) 2006-06-14 EP claimed
US-7041421-B2 Laked azo red pigment and processes for preparation and use ENGELHARD CORPORATION (US) 2006-05-09 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-6902612-B2 Heat stable laked monoazo red pigment ENGELHARD CORPORATION (US) 2005-06-07 US claimed
EP-1066269-B1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2005-05-11 EP claimed
WO-2005026265-A1 LAKED AZO RED PIGMENT AND PROCESSES FOR PREPARATION AND USE ENGELHARD CORPORATION (US) 2005-03-24 WO claimed
US-20050054385-A1 Laked azo red pigment and processes for preparation and use ENGELHARD CORPORATION 2005-03-10 US claimed
US-20050051050-A1 Heat stable laked monoazo red pigment ENGELHARD CORPORATION 2005-03-10 US claimed
US-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives DAEYAERT FREDERIK FRANS DESIRE (BE) 2002-08-22 US claimed
EP-1066269-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP claimed
US-6150360-A ADMINISTERING TO A PATIENT SUFFERING FROM HUMAN IMMUNODEFICIENCY VIRUS INFECTION A TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVE JANSSEN PHARMACEUTICA N.V. (BE) 2000-11-21 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
US-12600844-B2 Linear low density polyethylene for film applications EXXONMOBIL CHEMICAL PATENTS INC. (US) 2026-04-14 US disclosed
US-12577334-B2 Broad orthogonal distribution polyethylenes for films EXXONMOBIL CHEMICAL PATENTS INC. (US) 2026-03-17 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 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 (3 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-20020115668-A1 Trisubstituted 1,3,5-triazine derivatives XDH, CCR5, CXCR1 KDM4E 2744/4885CD44 4839/4885ALDH1A1 3722/4885
US-12577334-B2 Broad orthogonal distribution polyethylenes for films CDR2, LBR, FCER2 KDM4E 1244/4885CD44 2556/4885ALDH1A1 4599/4885
US-12600844-B2 Linear low density polyethylene for film applications RPS2, RPSA, LBR KDM4E 2286/4885CD44 2253/4885ALDH1A1 2819/4885

“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.