SCHEMBL1133153

SCHEMBL1133153

Cc1nc2cc(I)ccc2s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HSD17B10 Q99714 2/20 0.57
TP53 P04637 2/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.53
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL1621668 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL25449157 0.80 APP (0.59) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL92781 0.79 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL26031544 0.79 APP (0.36) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Bromide SCHEMBL10996884 0.78 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL27945390 0.78 DYRK1A (0.36) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Iodomethane SCHEMBL27623269 0.77 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
Iodomethane SCHEMBL28083731 0.77 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL1049510 0.76 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL991889 0.76 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003271-B Process for producing aromatic compound 住友化学株式会社 2022-05-03 CN disclosed
US-11045796-B2 Process for producing aromatic compound, and palladium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-06-29 US disclosed
EP-3822253-A1 METHOD FOR PREPARING PROPANEDINITRILE OXIME ETHER COMPOUND AND INTERMEDIATE COMPOUND Shenyang Sinochem Agrochemicals R&D Co., Ltd. (CN) 2021-05-19 EP disclosed
EP-3386511-B1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2021-05-12 EP disclosed
CN-108368142-B Method for producing aromatic compound and palladium complex 住友化学株式会社 2021-02-19 CN disclosed
WO-2020192302-A1 PYRIMIDINE-CONTAINING TRI-SUBSTITUTED IMIDAZOLE COMPOUND AND APPLICATION THEREOF 广州必贝特医药技术有限公司 2020-10-01 WO disclosed
EP-3131893-B1 POLYCYCLIC HERG ACTIVATORS NOVARTIS AG (CH) 2020-02-12 EP disclosed
CN-110003271-A The preparation method of aromatic compound 住友化学株式会社 2019-07-12 CN disclosed
US-20180369799-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-12-27 US disclosed
EP-3385270-A1 METHOD FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX Sumitomo Chemical Company, Ltd (JP) 2018-10-10 EP disclosed
EP-2287141-B1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-10-21 EP disclosed
CN-104684959-A Process for producing aromatic compound SUMITOMO CHEMICAL CO 2015-06-03 CN disclosed
EP-2871198-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-05-13 EP disclosed
EP-2871199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-05-13 EP disclosed
CN-104540871-A Method for producing aromatic compound SUMITOMO CHEMICAL CO 2015-04-22 CN disclosed
WO-2013116200-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY CERULEAN PHARMA INC. (US) 2013-08-08 WO disclosed
US-8237002-B2 Method for producing unsaturated organic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
EP-2287141-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-02-23 EP disclosed
WO-2005048922-A2 SULFONYLAMINOVALEROLACTAMS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-02 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 (3 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-11045796-B2 Process for producing aromatic compound, and palladium complex DDT, DRD1, DRD2 SMN1; SMN2 4456/4885NPC1 2704/4885RAB9A 200/4885
US-20110046380-A1 METHOD FOR PRODUCING UNSATURATED ORGANIC COMPOUND NIT2, NOS1, CHRM1 SMN1; SMN2 1667/4885NPC1 412/4885RAB9A 4246/4885
US-20180369799-A1 PROCESS FOR PRODUCING AROMATIC COMPOUND, AND PALLADIUM COMPLEX DDT, DRD1, DRD2 SMN1; SMN2 4456/4885NPC1 2704/4885RAB9A 200/4885

“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.