SCHEMBL17197375

SCHEMBL17197375

CS(=O)(=O)CCCOc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
RECQL P46063 2/20 0.68
ALDH1A1 P00352 8/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
HTT P42858 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51

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
SCHEMBL9642715 0.84 NPC1 (0.89) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL9187561 0.82 NPC1 (1.00) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL9257179 0.81 NPC1 (0.62) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL3463529 0.81 NPC1 (0.77) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL9294710 0.81 NPC1 (0.66) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL8765228 0.81 NPC1 (0.66) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL1340160 0.80 NPC1 (0.74) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL3070176 0.80 RAB9A (0.74) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL9294716 0.79 NPC1 (0.64) NPC1RAB9ARECQLALDH1A1KMT2A
SCHEMBL1959964 0.79 CA2 (0.49) NPC1RAB9AALDH1A1KMT2ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof Xuanzhu Pharma Co., Ltd. (CN) 2019-05-28 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
US-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-04-27 US disclosed
WO-2015158310-A1 TYROSINE KINASE INHIBITOR AND USES THEREOF 山东轩竹医药科技有限公司 2015-10-22 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 (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-20170112833-A1 Tyrosine Kinase Inhibitor And Uses Thereof EGFR, ERBB2, ABL1 NPC1 1943/4885RAB9A 786/4885RECQL 2646/4885
US-10300058-B2 Tyrosine kinase inhibitor and uses thereof EGFR, ERBB2, ABL1 NPC1 1943/4885RAB9A 786/4885RECQL 2646/4885

“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.