SCHEMBL2998472

SCHEMBL2998472

NC(=S)NNC(=O)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 1.00
CA9 Q16790 6/20 1.00
ALDH1A1 P00352 2/20 0.73
TP53 P04637 1/20 0.61
GAA P10253 4/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.57
MPO P05164 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP2C19 P33261 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.55
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53

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
Pyridine SCHEMBL28224544 0.86 CA1 (0.75) CA1CA9ALDH1A1GAASMN1; SMN2
SCHEMBL3000231 0.86 ALDH1A1 (0.83) CA1CA9ALDH1A1TP53GAA
SCHEMBL2992964 0.85 ALDH1A1 (1.00) CA1CA9ALDH1A1TP53GAA
SCHEMBL8729424 0.81 ALDH1A1 (0.73) CA1CA9ALDH1A1TP53GAA
SCHEMBL2988075 0.81 ALDH1A1 (0.73) CA1CA9ALDH1A1TP53GAA
SCHEMBL3003231 0.81 ALDH1A1 (0.73) CA1CA9ALDH1A1TP53GAA
SCHEMBL21408715 0.80 CA1 (0.67) CA1CA9ALDH1A1TP53GAA
SCHEMBL37273 0.80 ALDH1A1 (0.68) CA1CA9ALDH1A1GAAPOLB
SCHEMBL29123185 0.80 CA1 (0.67) CA1CA9ALDH1A1GAASMN1; SMN2
SCHEMBL2988323 0.79 ALDH1A1 (0.86) CA1CA9ALDH1A1TP53GAA

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
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN disclosed
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB CA1 2581/4885CA9 1325/4885ALDH1A1 302/4885

“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.