SCHEMBL2159745

SCHEMBL2159745

ClC1=C[N]c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
DNMT1 P26358 1/20 0.33
DNMT3L Q9UJW3 1/20 0.33
DNMT3A Q9Y6K1 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
CYP2A6 P11509 1/20 0.32
LMNA P02545 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MITF O75030 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL323144 0.70 CYP1A2 (0.33) IDO1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2159967 0.70 NOTUM (0.32)
SCHEMBL3096746 0.70 APAF1 (0.33) IDO1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1091565 0.65 GPR84 (0.35) LMNATSHR
SCHEMBL15156660 0.65 S100A4 (0.38) SMN1; SMN2TP53LMNAMAPTHTT
SCHEMBL816040 0.65 ALDH1A1 (0.31) IDO1NPC1RAB9AALDH1A1MAPT
SCHEMBL5737227 0.65 MEN1 (0.33) CYP2A6LMNAALDH1A1TDP1
SCHEMBL8078829 0.64 ALDH1A1 (0.36) SMN1; SMN2LMNAALDH1A1MAPTTDP1
SCHEMBL20585044 0.64 MAPT (0.43) IDO1DNMT1DNMT3LDNMT3ANPC1
SCHEMBL17321809 0.63 IDO1 (0.40) IDO1DNMT1DNMT3LDNMT3ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111194314-A Microbicidal picolinamide derivatives 先正达参股股份有限公司 2020-05-22 CN disclosed
US-8022072-B2 Azolylmethylidenehydrazine derivative and use thereof KAKEN PHARMACEUTICAL CO., LTD. (JP) 2011-09-20 US disclosed
US-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-08-04 US disclosed
US-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them BASF SE (DE) 2011-07-28 US disclosed
US-20110166020-A1 Imidazole and Triazole Compounds, Use Thereof and Agents Containing Said Compounds BASF SE (DE) 2011-07-07 US disclosed
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-07-29 US disclosed
EP-2168951-A1 AZOLYLMETHYLENEHYDRAZINE DERIVATIVE AND USE THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2010-03-31 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 (4 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-20110190122-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them ABAT, OAT, TYR IDO1 83/4885DNMT1 2389/4885DNMT3L 2477/4885
US-20110183842-A1 Triazole and Imidazole Compounds, Use Thereof and Agents Containing Them OAT, ABAT, TYR IDO1 84/4885DNMT1 2079/4885DNMT3L 2634/4885
US-20100190754-A1 AZOLYLMETHYLIDENEHYDRAZINE DERIVATIVE AND USE THEREOF ARSA, AHR, HRH2 IDO1 10/4885DNMT1 3984/4885DNMT3L 2046/4885
US-20110166020-A1 Imidazole and Triazole Compounds, Use Thereof and Agents Containing Said Compounds COX4I1, NISCH, TPMT IDO1 114/4885DNMT1 899/4885DNMT3L 1695/4885

“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.