SCHEMBL8551900

SCHEMBL8551900

Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 4/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 2/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
LMNA P02545 2/20 0.37
MAPK8 P45983 2/20 0.37
CYP2D6 P10635 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
DYRK3 O43781 1/20 0.35
PIM1 P11309 1/20 0.35
MAPK9 P45984 1/20 0.35

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
SCHEMBL8304642 0.87 KDM4E (0.43) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL2444846 0.85 PKM (0.44) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL13020364 0.84 KDM4E (0.41) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL2362702 0.83 MEN1 (0.38) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL13064186 0.83 KDM4E (0.43) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL3062142 0.76 MEN1 (0.56) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL2362318 0.75 PKM (0.33) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL10565331 0.75 KDM4E (0.41) KDM4ERECQLMEN1KMT2ASMN1; SMN2
SCHEMBL3578797 0.75 KDM4E (0.62) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL17207364 0.74 KMT2A (0.42) KDM4ERECQLMEN1KMT2ASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed
US-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed
EP-0566138-B1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO LTD (JP) 1998-11-18 EP disclosed
EP-0566138-A1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO., LTD. (JP) 1993-10-20 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 (2 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885RECQL 2612/4885MEN1 2958/4885
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885RECQL 2612/4885MEN1 2958/4885

“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.