SCHEMBL2977438

SCHEMBL2977438

Cc1ccc(C(=O)Nc2nccs2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.76
MAPT P10636 4/20 0.76
LMNA P02545 3/20 0.76
KDM4E B2RXH2 1/20 0.76
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 3/20 0.59
RAB9A P51151 5/20 0.57
ALDH1A1 P00352 2/20 0.56
POLB P06746 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.54
MEN1 O00255 2/20 0.53
RECQL P46063 2/20 0.53
MGAM O43451 1/20 0.53
SI P14410 1/20 0.53
STAT1 P42224 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52

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
SCHEMBL3191246 0.87 NPC1 (1.00) NPC1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL2969626 0.84 RAB9A (0.74) NPC1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL3181018 0.81 ALDH1A1 (0.67) NPC1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL2977443 0.79 KMT2A (0.71) NPC1MAPTLMNAKDM4ESMN1; SMN2
Nitrobenzene SCHEMBL27694792 0.79 NPC1 (0.82) NPC1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL1119373 0.78 RAB9A (0.71) NPC1MAPTLMNASMN1; SMN2RAB9A
SCHEMBL22348661 0.78 NPC1 (0.72) NPC1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL27964237 0.76 HTT (0.73) NPC1MAPTLMNASMN1; SMN2HTT
SCHEMBL5447613 0.76 MAPT (0.77) NPC1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3190864 0.75 RAB9A (0.66) NPC1MAPTLMNAKDM4ESMN1; SMN2

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
CN-1243724-C Amide derivatives which are useful as cell factor inhibitors ASTRA ZENECA LTD (SE) 2006-03-01 CN claimed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US claimed
CN-1330631-A Amide derivatives which are useful as cell factor inhibitors ASTRA ZENECA LTD (SE) 2002-01-09 CN claimed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 WO claimed
US-7772432-B2 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors ASTRAZENECA 2005-02-17 US disclosed
US-6821965-B1 IMPORTANT IN DISEASE OR MEDICAL CONDITIONS SUCH AS INFLAMMATION AND IMMUNOREGULATION ASTERZENECA AB (SE) 2004-11-23 US disclosed
CN-1330631-A Amide derivatives which are useful as cell factor inhibitors ASTRA ZENECA LTD (SE) 2002-01-09 CN disclosed
EP-1102743-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000007980-A1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-02-17 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 (1 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-20050038081-A1 Amidobenzamide derivatives which are useful as cytokine inhibitors IL6, IL6ST, IL2 NPC1 2786/4885MAPT 4659/4885LMNA 2665/4885

“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.