SCHEMBL1680588

SCHEMBL1680588

Cc1cccc(Oc2ccc(C#N)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.49
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.38
LYN P07948 1/20 0.35
PTGS1 P23219 2/20 0.35
TBXA2R P21731 2/20 0.35
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
PTGS2 P35354 1/20 0.34
GCK P35557 1/20 0.34

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
SCHEMBL1680332 0.83 VEGFA (0.38) ALDH1A1MRGPRX1PTGS1PTGS2GCK
SCHEMBL1680570 0.81 FNTA (0.36) ALDH1A1LMNASMN1; SMN2NPSR1TDP1
SCHEMBL1680719 0.81 AR (0.49) ARLMNA
SCHEMBL509367 0.80 AR (0.43) ARALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1106848 0.80 TSHR (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12943536 0.79 GUSB (0.33) ARALDH1A1LMNAMEN1KMT2A
SCHEMBL921181 0.79 POLB (0.47) ARALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL5957247 0.73 POLB (0.45) ARALDH1A1MEN1KMT2ANPSR1
SCHEMBL5697487 0.72 AR (0.43) AR
SCHEMBL920993 0.72 ALDH1A1 (0.46) ARALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND NAKAMOTO KAZUTAKA 2011-08-11 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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 (3 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-20110195999-A1 NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND ERG28, CYP51A1, XPO1 AR 4059/4885ALDH1A1 1677/4885LMNA 2372/4885
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD AR 4855/4885ALDH1A1 1926/4885LMNA 698/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 AR 4094/4885ALDH1A1 1459/4885LMNA 2208/4885

“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.