SCHEMBL178398

SCHEMBL178398

Cc1ccc(NCCCN)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
KAT2B Q92831 3/20 0.46
HTT P42858 2/20 0.44
GAA P10253 2/20 0.43
STK17A Q9UEE5 1/20 0.43
ALDH1A1 P00352 2/20 0.43
PRSS1 P07477 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL7149998 0.94 MAPT (0.71) MAPTKAT2BHTTGAAALDH1A1
SCHEMBL14661687 0.92 MAPT (0.68) MAPTKAT2BHTTGAAALDH1A1
SCHEMBL11935541 0.92 MAPT (0.68) MAPTKAT2BHTTGAAALDH1A1
SCHEMBL11748511 0.89 MAPT (0.52) MAPTGAASTK17AALDH1A1PRSS1
SCHEMBL3297792 0.86 MAPT (0.73) MAPTHTTGAAALDH1A1HRH3
SCHEMBL11518048 0.86 MAPT (0.80) MAPTHTTGAAALDH1A1PRSS1
SCHEMBL2065837 0.86 MAPT (1.00) MAPTHTTGAAALDH1A1HRH3
SCHEMBL13639541 0.84 MAPT (0.70) MAPTHTTGAAALDH1A1PRSS1
Hydrochloric Acid SCHEMBL28699276 0.84 MAPT (0.70) MAPTHTTGAAALDH1A1HRH3
Hydrochloric Acid SCHEMBL15329323 0.84 MAPT (0.94) MAPTHTTGAAALDH1A1HRH3

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
EP-3658899-A1 METHODS FOR DETECTING FILM-FORMING AMINES IN WATER Chemtreat, Inc. (US) 2020-06-03 EP disclosed
WO-2019023699-A1 METHODS FOR DETECTING FILM-FORMING AMINES IN WATER CHEMTREAT, INC (US) 2019-01-31 WO disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
CN-1271724-A (2-substituted oxyphenyl) alkane acylamide derivative and hair nourishing agent, skin external use agent SHISEIDO CO LTD (JP) 2000-11-01 CN disclosed
US-4264494-A Chromium complex dyestuffs for natural polyamides and synthetic nylons BASF AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed
US-4212801-A Unsymmetrical 1:2-chromium complexes containing an azo and an azomethine bond BASF AKTIENGESELLSCHAFT (DE) 1980-07-15 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 MAPT 4685/4885KAT2B 2521/4885HTT 4176/4885

“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.