SCHEMBL17890335

SCHEMBL17890335

C(=Cc1ccc(-n2c3ccc(C=Cc4ccncc4)cc3c3cc(C=Cc4ccncc4)ccc32)cc1)c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ IP6K1 Q92551 1/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ GFER P55789 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HBB P68871 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CYP1A1 P04798 1/20 0.39

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
SCHEMBL17890333 1.00 MAPT (0.44) MAPTSMN1; SMN2HPGDALDH1A1IP6K1
SCHEMBL31258284 0.92 KDM4E (0.43) MAPTSMN1; SMN2HPGDALDH1A1IP6K1
SCHEMBL17890344 0.92 KDM4E (0.43) MAPTSMN1; SMN2HPGDALDH1A1IP6K1
SCHEMBL17890345 0.92 KDM4E (0.43) MAPTSMN1; SMN2HPGDALDH1A1IP6K1
SCHEMBL15624230 0.89 CHAT (0.46) MAPTSMN1; SMN2HPGDALDH1A1IP6K1
SCHEMBL27943764 0.85 KDM4E (0.47) MAPTSMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL15624214 0.82 CHAT (0.46) MAPTSMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL8692442 0.79 KDM4E (0.50) IP6K1CYP1A2MEN1KMT2AKDM4E
SCHEMBL15624213 0.77 CHAT (0.49) MAPTSMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL10708645 0.75 KDM4E (0.60) MAPTIP6K1CYP1A2MEN1KMT2A

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-9863937-B2 Fluorescent molecular rotors AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-01-09 — — US disclosed
US-20160195519-A1 FLUORESCENT MOLECULAR ROTORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-07-07 — — 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 (1 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-20160195519-A1 FLUORESCENT MOLECULAR ROTORS DYNC1LI2, DNAH12, DYNLL2 MAPT 2260/4885SMN1; SMN2 4781/4885HPGD 4250/4885

“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.

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