SCHEMBL3308997

SCHEMBL3308997

N#CC1(N)Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.33
DPP4 P27487 1/20 0.32
PTK2B Q14289 1/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8553587 0.86 BACE1 (0.39) ALDH1A1KMT2ATSHRHPGDMAOB
Hydrochloric Acid SCHEMBL9179624 0.84 BACE1 (0.38) ALDH1A1KMT2ATSHRHPGDMAOB
SCHEMBL8556224 0.81 CYP3A4 (0.39) ALDH1A1KMT2ATSHRHPGDLMNA
SCHEMBL5493987 0.76 CYP1A2 (0.33) ALDH1A1KMT2ATSHRMAOAMAOB
SCHEMBL18363071 0.71 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRHPGDLMNA
SCHEMBL15019278 0.71 TSHR (0.38) TSHRMAOAMAOB
SCHEMBL7918142 0.70 BACE1 (0.33)
Hydrochloric Acid SCHEMBL4733230 0.69 IDO1 (0.37) TSHRMAOAMAOB
SCHEMBL10575553 0.68 OPRM1 (0.46) ALDH1A1KMT2ACA1CA2
SCHEMBL20741224 0.68 ALDH1A1 (0.36) ALDH1A1KMT2ATSHRHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679346-B Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI-AVENTIS (FR) 2014-10-22 CN disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-8569535-B2 Substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI (FR) 2013-10-29 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
US-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2010-05-06 US disclosed
CN-101679346-A substituted benzoylamino-indan-2-carboxylic acids and related compounds SANOFI AVENTIS 2010-03-24 CN disclosed
EP-2155711-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS Sanofi-Aventis (FR) 2010-02-24 EP disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
WO-2008151211-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS SANOFI-AVENTIS (FR) 2008-12-11 WO disclosed
US-5238955-A Anticarcinogenic agents ASTA PHARMA AG (DE) 1993-08-24 US disclosed
US-5194644-A Antitumor agents; treatment of leukemia ASTA PHARMA AG (DE) 1993-03-16 US disclosed
EP-0451753-A1 In the ethylenic moiety substituted phenylalkylethylenediamine-platinum (II or IV) derivatives and phenylalkyl-ethylenediamines ASTA Medica Aktiengesellschaft (DE) 1991-10-16 EP 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-20100113462-A1 SUBSTITUTED BENZOYLAMINO-INDAN-2-CARBOXYLIC ACIDS AND RELATED COMPOUNDS CXCR5, CXCR1, CCR5 ALDH1A1 1892/4885KMT2A 4037/4885TSHR 702/4885

“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.