SCHEMBL2756756

SCHEMBL2756756

Cc1ccc2c(c1)sc1c3ccc(C(C)C)cc3sc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
SCN4A P35499 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 3/20 0.37
TRPA1 O75762 2/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KIF11 P52732 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 3/20 0.33
PIM1 P11309 1/20 0.33

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
SCHEMBL2706260 0.91 RAB9A (0.46) RAB9ANPC1SCN4ASMN1; SMN2LMNA
SCHEMBL13707463 0.89 RAB9A (0.42) RAB9ANPC1SCN4ASMN1; SMN2BCL2L1
SCHEMBL3123994 0.84 BCL2L1 (0.47) RAB9ANPC1SMN1; SMN2BCL2L1MCL1
SCHEMBL22000096 0.82 KIF11 (0.46) RAB9ANPC1SCN4ASMN1; SMN2LMNA
SCHEMBL18462668 0.81 NPC1 (0.37) RAB9ANPC1SCN4ASMN1; SMN2LMNA
SCHEMBL11892121 0.81 BCL2L1 (0.44) RAB9ANPC1SMN1; SMN2BCL2L1MCL1
SCHEMBL12796843 0.81 BCL2L1 (0.44) RAB9ANPC1SMN1; SMN2BCL2L1MCL1
SCHEMBL754829 0.81 BCL2L1 (0.44) RAB9ANPC1SMN1; SMN2BCL2L1MCL1
SCHEMBL14327686 0.79 ALDH1A1 (0.40) RAB9ANPC1SCN4ASMN1; SMN2LMNA
SCHEMBL13084833 0.78 RAB9A (0.48) RAB9ANPC1SCN4ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523313-B1 DIBENZO[D,B]SILOLE-BASED REACTIVE MESOGENS LOMOX LTD (GB) 2021-05-05 EP disclosed
US-9981955-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2018-05-29 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO 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 (4 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885SCN4A 4581/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885SCN4A 4581/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885SCN4A 4581/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885SCN4A 4581/4885

“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.