SCHEMBL21832239

SCHEMBL21832239

S=c1cnc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MAPT P10636 4/20 0.45
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GAA P10253 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSMB8 P28062 1/20 0.38

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
SCHEMBL29506236 0.74 MAPT (0.46) NPC1RAB9AMAPTCA12CA9
SCHEMBL276699 0.74 MAPT (0.46) NPC1RAB9AMAPTCA12CA9
SCHEMBL29506237 0.74 MAPT (0.46) NPC1RAB9AMAPTCA12CA9
SCHEMBL27922678 0.74 RAB9A (0.41) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL27333832 0.72 MAPT (0.44) NPC1RAB9AMAPTCA12CA9
Hydrochloric Acid SCHEMBL22092050 0.72 MAPT (0.44) NPC1RAB9AMAPTCA12CA9
SCHEMBL5707111 0.64 NPC1 (0.61) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL824375 0.64 NPC1 (0.69) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL29531707 0.64 NPC1 (0.69) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL6445381 0.64 NPC1 (0.54) NPC1RAB9AMAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701922-B2 Metal or metal-plated reinforcement with sulfur polybenzoxazine-coated surface COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-07-18 US disclosed
US-11624002-B2 Sulfurized polybenzoxazine that can be used for coating metal and for the bonding of same to rubber COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2023-04-11 US disclosed
CN-110770213-B Sulfurized benzoxazines for use in the synthesis of polybenzoxazines 米其林集团总公司 2023-04-11 CN disclosed
CN-110770279-B Vulcanized polybenzoxazines useful for coating metals and for bonding of such metals to rubber 米其林集团总公司 2022-09-16 CN disclosed
US-11155540-B2 Sulfurized benzoxazine for use in the synthesis of a polybenzoxazine COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-10-26 US disclosed
CN-110770314-B Metal or metallized reinforcement having a surface coated with a cured polybenzoxazine 米其林集团总公司 2021-10-01 CN disclosed
US-20210146725-A1 METAL OR METAL-PLATED REINFORCEMENT WITH SULFUR POLYBENZOXAZINE-COATED SURFACE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-05-20 US disclosed
US-20200199112-A1 SULFURIZED BENZOXAZINE FOR USE IN THE SYNTHESIS OF A POLYBENZOXAZINE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-06-25 US disclosed
CN-109053631-B Synthetic method for synthesizing benzo [1,3] oxazine-2-thioketone through isothiocyanate and 2-sulfonyl alkyl phenol 青岛科技大学 2020-06-09 CN disclosed
US-20200095458-A1 SULFURIZED POLYBENZOXAZINE THAT CAN BE USED FOR COATING METAL AND FOR THE BONDING OF SAME TO RUBBER COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2020-03-26 US disclosed
CN-110770213-A Sulfurized benzoxazines for use in the synthesis of polybenzoxazines 米其林集团总公司 2020-02-07 CN disclosed
CN-110770314-A Metal or metallized reinforcement having a surface coated with a cured polybenzoxazine 米其林集团总公司 2020-02-07 CN disclosed
CN-110770279-A Vulcanized polybenzoxazines useful for coating metals and for bonding of such metals to rubber 米其林集团总公司 2020-02-07 CN disclosed
CN-1131856-C Cyclothiocarbamate derivatives as progesterone receptor modulators AMERICAN HOME PRODUCTS CORP. (US) 2003-12-24 CN disclosed
CN-1349516-A Cyclothiocarbamate derivatives as progesterone receptor modulators AMERICAN HOME PROD (US) 2002-05-15 CN 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-11155540-B2 Sulfurized benzoxazine for use in the synthesis of a polybenzoxazine PRDX1, PRDX4, PRDX2 NPC1 4854/4885RAB9A 4640/4885MAPT 3362/4885
US-20200199112-A1 SULFURIZED BENZOXAZINE FOR USE IN THE SYNTHESIS OF A POLYBENZOXAZINE PRDX4, PRDX1, PRDX2 NPC1 4852/4885RAB9A 4646/4885MAPT 3358/4885

“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.