SCHEMBL2123489

SCHEMBL2123489

Clc1ccccc1-c1ccon1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
CYP2A6 P11509 1/20 0.41
NOTUM Q6P988 1/20 0.40
GRM5 P41594 1/20 0.40
LDHA P00338 1/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
MAOB P27338 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
SCHEMBL29840696 1.00 IDO1 (0.46) IDO1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL4059082 0.84 MDM2 (0.41) SMN1; SMN2NPC1RAB9ACYP1A2MAPT
Anthranilic Acid SCHEMBL28368613 0.80 SMN1; SMN2 (0.43) SMN1; SMN2NPC1HPGDCYP1A2CYP2C19
SCHEMBL2085462 0.77 MDM2 (0.40) SMN1; SMN2NPC1RAB9ACYP2A6CYP1A2
SCHEMBL928493 0.76 KDM4E (0.45) SMN1; SMN2NPC1RAB9AHPGDTP53
SCHEMBL14586348 0.76 ALOX15 (0.46) SMN1; SMN2NPC1RAB9AHPGDTP53
SCHEMBL2122850 0.75 IDO1 (0.44) IDO1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL2122583 0.75 NPC1 (0.45) IDO1SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5542787 0.75 MDM2 (0.36) SMN1; SMN2NPC1RAB9ACYP1A2MAPT
SCHEMBL4714608 0.75 CASP3 (0.44) IDO1SMN1; SMN2NPC1RAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095011-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-7320994-B2 Triazole derivatives as tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
CN-1561391-A Recombinant bacterial phytases and uses thereof DIVERSA CORP (US) 2005-01-05 CN disclosed
CN-1216986-A Isoxazole derivatives SANKYO CO (JP) 1999-05-19 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 IDO1 219/4885SMN1; SMN2 4876/4885NPC1 563/4885
US-20120095011-A1 NOVEL COMPOUNDS C1R, TBXA2R, F12 IDO1 3693/4885SMN1; SMN2 2090/4885NPC1 376/4885

“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.