SCHEMBL3876475

SCHEMBL3876475

CC(=O)Nc1ccc(Cl)c(I)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
KDM4E B2RXH2 3/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
PARP14 Q460N5 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
EPHX1 P07099 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL30216059 1.00 ALDH1A1 (0.46) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL29683246 0.82 ALDH1A1 (0.44) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL4310399 0.82 ALDH1A1 (0.44) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL13715404 0.79 KDM4E (0.50) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL13043443 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL8558945 0.79 ALDH1A1 (0.47) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL11015754 0.78 ALDH1A1 (0.46) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL5725486 0.78 ALDH1A1 (0.46) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL11443101 0.76 ALDH1A1 (0.47) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL2648754 0.74 CA1 (0.57) ALDH1A1CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630529-B2 GCN2 modulator compounds Alesta Therapeutics BV (NL) 2026-05-19 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
CN-115768750-A GCN2 modulator compounds 阿莱斯塔治疗公司 2023-03-07 CN disclosed
EP-4107146-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2022-12-28 EP disclosed
US-20140058129-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2014-02-27 US disclosed
US-8586782-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-11-19 US disclosed
US-8362294-B2 Phenylacetic acid derivatives NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20130012585-A1 Phenylacetic Acid Derivatives MONOVICH LAUREN G (US) 2013-01-10 US disclosed
EP-2046723-B1 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2012-07-18 EP disclosed
US-20090209648-A1 Phenylacetic Acid Derivatives NOVARTIS AG (CH) 2009-08-20 US disclosed
CN-101479231-A Phenylacetic acid derivatives as COX-2 inhibitors NOVARTIS AG (CH) 2009-07-08 CN disclosed
EP-2046723-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2008002853-A2 PHENYLACETIC ACID DERIVATIVES AS COX-2 INHIBITORS NOVARTIS AG (CH) 2008-01-03 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 (5 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-12630529-B2 GCN2 modulator compounds NR3C1, GCN1, EIF2AK4 ALDH1A1 4260/4885CA1 3553/4885CA2 1341/4885
US-20140058129-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 ALDH1A1 37/4885CA1 1546/4885CA2 760/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 ALDH1A1 4030/4885CA1 4675/4885CA2 2579/4885
US-20130012585-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, GOT2 ALDH1A1 37/4885CA1 1546/4885CA2 760/4885
US-20090209648-A1 Phenylacetic Acid Derivatives PTGES2, PTGS2, PTGER2 ALDH1A1 36/4885CA1 1592/4885CA2 794/4885

“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.