SCHEMBL11982549

SCHEMBL11982549

Cc1ccc(C(=O)O)cc1NNCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ AKR1C3 P42330 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SELL P14151 2/20 0.48
▸ SELP P16109 2/20 0.48
▸ CASR P41180 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ MAPT P10636 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SELE P16581 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7772145 0.79 AKR1C3 (0.54) ALDH1A1KDM4EAKR1C3L3MBTL1SELL
SCHEMBL4012969 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EAKR1C3L3MBTL1SELL
SCHEMBL26292488 0.78 AKR1C3 (0.53) ALDH1A1KDM4EAKR1C3L3MBTL1SELL
Hydrochloric Acid SCHEMBL1416836 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EAKR1C3L3MBTL1SELL
SCHEMBL560143 0.76 L3MBTL1 (0.57) ALDH1A1KDM4EL3MBTL1SELLSELP
SCHEMBL13073785 0.75 KDM4E (0.63) ALDH1A1KDM4EAKR1C3L3MBTL1SELL
SCHEMBL27869210 0.75 KDM4E (0.58) ALDH1A1KDM4EAKR1C3L3MBTL1SELL
SCHEMBL4638803 0.75 KDM5A (0.67) ALDH1A1KDM4EAKR1C3L3MBTL1SELL
SCHEMBL13911909 0.75 AKR1C3 (0.50) ALDH1A1KDM4EAKR1C3L3MBTL1SELL
SCHEMBL14624383 0.75 AKR1C3 (0.50) ALDH1A1KDM4EAKR1C3L3MBTL1SELL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 — — US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 — — US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 — — US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 — — US disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 — — US disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 — — 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-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2270/4885KDM4E 4177/4885AKR1C3 1962/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2270/4885KDM4E 4177/4885AKR1C3 1962/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 ALDH1A1 2142/4885KDM4E 4095/4885AKR1C3 1930/4885

“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.

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