SCHEMBL3281802

SCHEMBL3281802

CCCCc1nc(C)cc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.40
LMNA P02545 2/20 0.38
NOS2 P35228 1/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NR4A2 P43354 1/20 0.35
CETP P11597 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TLR8 Q9NR97 1/20 0.34
MAPK1 P28482 2/20 0.33
RAB9A P51151 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL11763467 0.94 HTT (0.39) HTTLMNAALDH1A1KMT2ANR4A2
SCHEMBL1671889 0.88 HTT (0.42) HTTLMNANOS2ALDH1A1KMT2A
SCHEMBL1321965 0.88 KMT2A (0.39) HTTNOS2ALDH1A1KMT2AMEN1
SCHEMBL2616805 0.86 NOS2 (0.42) HTTLMNANOS2ALDH1A1KMT2A
SCHEMBL3806604 0.82 KCNH2 (0.41) KMT2AMEN1CETPTLR8CNR1
SCHEMBL8385253 0.80 KCNH2 (0.44) LMNAALDH1A1CNR1CNR2TP53
SCHEMBL2632758 0.79 HTT (0.44) HTTLMNAALDH1A1KMT2AMEN1
SCHEMBL29826849 0.79 HTT (0.44) HTTLMNAALDH1A1KMT2AMEN1
SCHEMBL9843901 0.79 GPR84 (0.39) HTTKMT2AMEN1CETPSMN1; SMN2
SCHEMBL19977330 0.78 KCNH2 (0.45) HTTALDH1A1KMT2AMEN1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882568-B Pyrrol derivatives with antibacterial activity ASTRAZENECA AB 2012-03-28 CN disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
CN-1882568-A Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 US disclosed
EP-1664025-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY AstraZeneca AB (SE) 2006-06-07 EP disclosed
WO-2005026149-A1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2005-03-24 WO disclosed
US-5100897-A Hypotensive agents, congestive heart failure, ocular hypertension MERCK & CO., INC. (US) 1992-03-31 US disclosed
EP-0419048-A2 Substituted pyrimidinones as angiotensin II antagonists MERCK & CO. INC. (US) 1991-03-27 EP 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 HTT 4108/4885LMNA 4252/4885NOS2 750/4885

“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.