SCHEMBL19992630

SCHEMBL19992630

O=C(NCc1ccc(S(=O)(=O)O)cc1)C1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.53
▸ ALDH1A1 P00352 9/20 0.48
▸ USP2 O75604 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ERCC1 P07992 1/20 0.44
▸ ERCC4 Q92889 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
SCHEMBL2450367 0.83 HTR2C (0.56) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL4434645 0.83 ALDH1A1 (0.70) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL2444405 0.83 ALDH1A1 (0.70) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL29542019 0.81 HTR2C (0.53) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL21541003 0.80 HTR2C (0.62) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL2447403 0.80 ALDH1A1 (0.73) HTR2CALDH1A1SMN1; SMN2TSHRMAPT
SCHEMBL6861732 0.80 HTR2C (0.62) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL13745623 0.80 HTR2C (0.53) HTR2CALDH1A1USP2HPGDSMN1; SMN2
SCHEMBL2579071 0.77 PKM (0.58) ALDH1A1TP53
Hydrochloric Acid SCHEMBL694838 0.77 HTR2C (0.52) HTR2CALDH1A1USP2HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079741-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2018-03-22 — — 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 (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-20180079741-A1 PROCESS FOR PRODUCING HETEROCYCLIC COMPOUND DHPS, QDPR, DPYD HTR2C 199/4885ALDH1A1 229/4885USP2 2616/4885

“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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