SCHEMBL199200

SCHEMBL199200

O=C(O)c1ccc(C2(c3nc(-c4ccc(Cl)nc4)cs3)CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RARA P10276 5/20 0.41
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41
ALDH1A1 P00352 1/20 0.40
NAPRT Q6XQN6 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.36
MAP4K4 O95819 1/20 0.36
HPGD P15428 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
EIF4E P06730 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
SCHEMBL197399 0.88 F2RL3 (0.43) KDM4ERAB9ANPC1MEN1KMT2A
SCHEMBL196570 0.82 RAB9A (0.52) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL196792 0.82 HDAC1 (0.45) KDM4ERAB9ANPC1SMN1; SMN2KCNH2
SCHEMBL199184 0.81 CHEK1 (0.44) RARARARBRARGHPGD
SCHEMBL197830 0.79 CTSB (0.39) RARARARBRARGALDH1A1HPGD
SCHEMBL2700193 0.74 RAB9A (0.57) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2698901 0.74 MAPT (0.40) RAB9ASMN1; SMN2ALDH1A1POLBHTT
SCHEMBL5585388 0.73 HRH3 (0.41) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2700254 0.73 SIRT5 (0.44) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL197796 0.73 LMNA (0.49) KDM4ERAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 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 (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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 KDM4E 181/4885RAB9A 2514/4885NPC1 277/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 KDM4E 181/4885RAB9A 2514/4885NPC1 277/4885

“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.