SCHEMBL6790960

SCHEMBL6790960

NC(=O)c1cc(SCc2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ TSHR P16473 2/20 0.49
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 4/20 0.45
▸ PKM P14618 3/20 0.43
▸ THRB P10828 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX5 P09917 1/20 0.42

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
SCHEMBL6794925 0.89 ALDH1A1 (0.51) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
Nitromide SCHEMBL28485475 0.81 SMN1; SMN2 (0.65) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL11814074 0.81 TP53 (0.56) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL9628687 0.80 CRHBP (0.46) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL6790728 0.79 HDAC3 (0.44) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL11821792 0.78 MAPT (0.48) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL15122639 0.78 ALDH1A1 (0.48) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL29534344 0.78 ALDH1A1 (0.48) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL8671668 0.76 MEN1 (0.60) KMT2ACYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL15196503 0.74 PLA2G10 (0.59) KMT2ACYP3A4MEN1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767907-B2 FOR THERAPY OF PSYCHIC AND NEUROLOGIC DISORDERS H. LUNDBECK A/S (DK) 2004-07-27 — — US disclosed
US-6743808-B1 PSYCHOLOGICAL AND NEUROLOGIC DISORDERS; CENTRAL SEROTONERGIC 5-HT1A AND 5-HT2A RECEPTOR ANTAGONISTS H. LUNDBECK A/S (DK) 2004-06-01 — — US disclosed
US-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines PERREGAARD JENS KRISTIAN (DK) 2003-10-16 — — US disclosed
US-6218394-B1 FOR THERAPY OF SCHIZOPHRENIA, OTHER PSYCHOSES, ANXIETY DISORDERS, SUCH AS GENERALISED ANXIETY DISORDER, PANIC DISORDER H. LUNDBECK A/S (DK) 2001-04-17 — — US disclosed
EP-0765311-B1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES LUNDBECK & CO AS H (DK) 2000-10-04 — — EP disclosed
EP-0765311-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1997-04-02 — — EP disclosed
WO-1995033721-A1 4-ARYL-1-(INDANMETHYL, DIHYDROBENZOFURANMETHYL OR DIHYDROBENZOTHIOPHENEMETHYL)PIPERIDINES, TETRAHYDROPYRIDINES OR PIPERAZINES H. LUNDBECK A/S (DK) 1995-12-14 — — 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-20030195356-A1 4-Aryl-1-(indanmethyl dihydrobenzofuranmethyl or dihydrobenzothiophenemethyl) piperidines tetrahydropyridines or piperazines CNR1, TPH1, CNR2 KMT2A 1470/4885CYP3A4 782/4885MEN1 4852/4885

“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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