SCHEMBL3088081

SCHEMBL3088081

[NaH].c1ccc(C[Se]Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ CALM1 P0DP23 1/20 0.47
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ LOXL2 Q9Y4K0 2/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ MAOB P27338 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.40
▸ FAAH O00519 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40

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
SCHEMBL1127579 0.97 CYP1A2 (0.52) CYP1A2CYP1A1CYP1B1CALM1TSHR
SCHEMBL4406066 0.88 CYP1A2 (0.46) CYP1A2CYP1A1CYP1B1CALM1TSHR
Cyanide SCHEMBL21808145 0.88 CYP1A1 (0.52) CYP1A2CYP1A1CYP1B1CALM1TSHR
SCHEMBL28309638 0.82 TP53 (0.46) CYP1A2CYP1A1CYP1B1CALM1TSHR
SCHEMBL1127627 0.82 FNTA (0.54) CYP1A2IDO1CA1CA2CA9
SCHEMBL28309640 0.80 TP53 (0.44) CYP1A2CYP1A1CYP1B1CALM1TSHR
Bisbenzyldiselenide SCHEMBL441260 0.78 CYP1A1 (0.52) CYP1A2CYP1A1CYP1B1CALM1TSHR
SCHEMBL28859310 0.76 CYP1A2 (0.41) CYP1A2CYP1A1CYP1B1CALM1TSHR
SCHEMBL28452710 0.76 TP53 (0.46) CYP1A2CYP1A1CYP1B1CALM1TSHR
Bisbenzyldiselenide SCHEMBL29169728 0.75 CYP1A1 (0.56) CYP1A2CYP1A1CYP1B1CALM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292490-A1 A PROCESS FOR PRODUCING GAMMA MANGOSTIN LAILA NUTRACEUTICALS (IN) 2010-11-18 — — US claimed
WO-2009093259-A2 A PROCESS FOR PRODUCING γ-MANGOSTIN GOKARAJU GANGA RAJU (IN) 2009-07-30 — — WO claimed
US-20180186748-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATERS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2018-07-05 — — US disclosed
US-9783502-B2 Crystalline forms and processes for the preparation of phenyl-pyrazoles useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2017-10-10 — — US disclosed
US-20160272591-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2016-09-22 — — US disclosed
US-9199940-B2 Crystalline forms and processes for the preparation of phenyl-pyrazoles useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2015-12-01 — — US disclosed
EP-2018372-B1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARM INC (US) 2015-05-13 — — EP disclosed
US-20130296321-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2013-11-07 — — US disclosed
US-8481535-B2 Crystalline forms and processes for the preparation of phenyl-pyrazoles useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2013-07-09 — — US disclosed
US-20100234380-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2010-09-16 — — US disclosed
EP-2018372-A2 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR Arena Pharmaceuticals, Inc. (US) 2009-01-28 — — EP disclosed
WO-2007136689-A2 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 — — WO disclosed
US-4900782-A Stabilized polyelectrolyte precursors of poly(aromatic and heteroaromatic vinylenes) ALLIED-SIGNAL INC. (US) 1990-02-13 — — 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 (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-20130296321-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR2A, HTR5A, HTR2C CYP1A2 29/4885CYP1A1 89/4885CYP1B1 52/4885
US-20180186748-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATERS OF THE 5-HT2A SEROTONIN RECEPTOR HTR2A, HTR5A, HTR2C CYP1A2 35/4885CYP1A1 124/4885CYP1B1 95/4885
US-20100292490-A1 A PROCESS FOR PRODUCING GAMMA MANGOSTIN SOST, CYP51A1, GNMT CYP1A2 560/4885CYP1A1 307/4885CYP1B1 715/4885
US-20100234380-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR2A, HTR5A, HTR2C CYP1A2 29/4885CYP1A1 89/4885CYP1B1 52/4885
US-20160272591-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PHENYL-PYRAZOLES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR2A, HTR5A, HTR2C CYP1A2 29/4885CYP1A1 89/4885CYP1B1 52/4885

“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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