SCHEMBL2997577

SCHEMBL2997577

C1=COC(Cc2ccccc2)=C[N]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.41
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
SORT1 Q99523 1/20 0.33
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MEN1 O00255 1/20 0.31
ELANE P08246 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL184435 0.69 CALM1 (0.46) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL7723121 0.69 CALM1 (0.58) CALM1ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL6249409 0.67 CALM1 (0.42) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL8649274 0.65 CALM1 (0.46) CALM1ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL14941759 0.63 CALM1 (0.55) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL5698082 0.63 CALM1 (0.42) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
Diphenylmethane SCHEMBL1303 0.62 CALM1 (1.00) CALM1ALDH1A1HPGDTSHRLMNA
Diphenylmethane SCHEMBL3792579 0.62 CALM1 (1.00) CALM1ALDH1A1HPGDTSHRLMNA
Diphenylmethane SCHEMBL14763944 0.62 CALM1 (1.00) CALM1ALDH1A1HPGDTSHRLMNA
Diphenylmethane SCHEMBL4361124 0.62 CALM1 (1.00) CALM1ALDH1A1HPGDTSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-8263588-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2012-09-11 US disclosed
US-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. 2010-07-22 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 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-20100184741-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO GNRHR, GHRHR, LHCGR CALM1 2861/4885ALDH1A1 2873/4885RAB9A 1301/4885

“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.