SCHEMBL8613491

SCHEMBL8613491

CC(C)(C)C(=O)Nc1ncccc1S

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
CFTR P13569 2/20 0.40
AHR P35869 1/20 0.40
LMNA P02545 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL2494002 0.85 RAB9A (0.59) L3MBTL1ALDH1A1NPC1RAB9AHTT
SCHEMBL2601270 0.81 NPC1 (0.52) L3MBTL1ALDH1A1NPC1RAB9AATM
SCHEMBL12310822 0.81 L3MBTL1 (0.57) L3MBTL1ALDH1A1NPC1RAB9AHTT
SCHEMBL5044753 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1NPC1RAB9AHTT
SCHEMBL28729464 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1NPC1RAB9AHTT
SCHEMBL29431831 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1NPC1RAB9AHTT
SCHEMBL510235 0.80 L3MBTL1 (0.47) L3MBTL1ALDH1A1NPC1RAB9AHTT
SCHEMBL11992012 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1NPC1RAB9AHTT
SCHEMBL2556765 0.79 L3MBTL1 (0.46) L3MBTL1ALDH1A1NPC1RAB9AHTT
SCHEMBL18640774 0.79 DHODH (0.55) L3MBTL1ALDH1A1NPC1RAB9AHTT

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
US-20250066322-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-02-27 US disclosed
EP-4337650-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
CN-117279906-A Substituted heterocyclic compounds 百时美施贵宝公司 2023-12-22 CN disclosed
WO-2022241173-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed
EP-0612729-B1 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-04-23 EP disclosed
US-5561147-A ANTIINFLAMMATORY AGENT, ANTIPYRETIC, ANALGESICS, ANTIALLERGENS, IMMUNOSUPPRESSANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-01 US disclosed
US-5457106-A Antiinflammatory agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-10 US disclosed
US-5389658-A Administering as antipyretic, antiinflammatory, analgesic, antiallergic, or immunosupressive agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0612729-A2 Pyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-31 EP disclosed
US-5246948-A Antiinflammatory, antipyretic, analgesic, antiallergic, immunosupressing or immunomodulating activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-21 US disclosed
EP-0522606-A2 Pyridine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-13 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-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A L3MBTL1 3598/4885ALDH1A1 3052/4885NPC1 3041/4885
US-20250066322-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, STAT3, JAK2 L3MBTL1 4081/4885ALDH1A1 3387/4885NPC1 3989/4885

“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.