SCHEMBL4362389

SCHEMBL4362389

CC(=O)Nc1cccc(C(C)N)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.56
CYP1A2 P05177 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.51
NR4A1 P22736 1/20 0.51
RAB9A P51151 1/20 0.51
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MAPKAPK2 P49137 1/20 0.49
FADS1 O60427 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.47
RORC P51449 1/20 0.47

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
SCHEMBL3719163 0.86 MEN1 (0.54) ALDH1A1HSD17B10MEN1KMT2AFADS1
SCHEMBL104492 0.86 ALDH1A1 (0.59) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL1888517 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL4368824 0.83 MEN1 (0.59) ALDH1A1HSD17B10MEN1KMT2AFADS1
SCHEMBL11359244 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL23046942 0.83 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL5078290 0.83 MEN1 (0.46) ALDH1A1MEN1KMT2AFADS1LMNA
SCHEMBL4705983 0.82 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
Hydrochloric Acid SCHEMBL32690592 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10CYP1A2MEN1KMT2A
SCHEMBL4854892 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP1A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-17 US disclosed
WO-2020114947-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-11 WO disclosed
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 (2 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 ALDH1A1 2963/4885HSD17B10 4277/4885CYP1A2 409/4885
US-20220048889-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH ALDH1A1 543/4885HSD17B10 262/4885CYP1A2 33/4885

“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.