SCHEMBL12844693

SCHEMBL12844693

Bc1cc(NN)ccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
USP2 O75604 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
TRPV4 Q9HBA0 2/20 0.31
SLC22A12 Q96S37 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL3623834 0.76 TRPV4 (0.52) IDO1TRPV4
SCHEMBL425967 0.76 IDO1 (0.63) IDO1ALDH1A1KDM4EMAPTLMNA
SCHEMBL383103 0.76 ABCG2 (0.43) IDO1ALDH1A1KDM4EMAPTLMNA
SCHEMBL426896 0.76 ABCG2 (0.44) IDO1ALDH1A1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL5057770 0.74 TRPV4 (0.50) IDO1TRPV4
SCHEMBL28296270 0.74 TRPV4 (0.50) IDO1TRPV4
Hydrochloric Acid SCHEMBL423366 0.74 IDO1 (0.61) IDO1ALDH1A1KDM4EMAPTLMNA
Hydrochloric Acid SCHEMBL425553 0.74 ABCG2 (0.43) IDO1ALDH1A1KDM4EHTTUSP2
SCHEMBL14177808 0.73 IDO1 (0.37) IDO1ALDH1A1KDM4EMAPTLMNA
SCHEMBL897882 0.72 GRM4 (0.47) IDO1GAANPC1RAB9ATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2009-06-25 US disclosed
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor SERENEX, INC. 2008-04-24 US 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-20090163493-A9 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 IDO1 2149/4885ALDH1A1 2373/4885KDM4E 3745/4885
US-20080096887-A1 cell proliferation, such as cancer, inflammation, and angiogenesis; fungal infections; antimalaria; Heat hock protein 90 (HSP-90) inhibitor HSP90AA1, HSP90AB1, HSPA4 IDO1 2149/4885ALDH1A1 2373/4885KDM4E 3745/4885

“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.