SCHEMBL2985535

SCHEMBL2985535

Cc1cnc(NC(=O)CBr)s1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
GAA P10253 2/20 0.60
TP53 P04637 1/20 0.58
HTT P42858 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
LMNA P02545 1/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.53

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
SCHEMBL24102066 0.89 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL6361249 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL27787695 0.83 RAB9A (0.60) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL24101621 0.83 HTT (0.61) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL7932791 0.83 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL5837409 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL5836346 0.81 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ATP53HTT
SCHEMBL18969626 0.80 RAB9A (0.57) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL17368178 0.80 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AGAATP53
SCHEMBL14903117 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AGAATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778311-B Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-04 CN disclosed
CN-116535366-B Thiazole compound and preparation method and application thereof 广州医科大学 2023-12-05 CN disclosed
CN-116535366-A Thiazole compound and preparation method and application thereof 广州医科大学 2023-08-04 CN disclosed
CN-112778311-A Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-05-11 CN disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
US-7786142-B2 Heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2010-08-31 US disclosed
EP-1945612-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS Orchid Research Laboratories Limited (IN) 2008-07-23 EP disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
US-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors ORCHID RESEARCH LABORATORIES, LTD. (IN) 2007-05-17 US disclosed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 WO disclosed
WO-2007042912-A2 HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-04-19 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 (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-20070111998-A1 Novel heterocyclic compounds as pSTAT3/IL-6 inhibitors IL6, IL6ST, STAT3 SMN1; SMN2 3129/4885NPC1 4478/4885RAB9A 3656/4885

“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.