SCHEMBL3588583

SCHEMBL3588583

[CH2]C(C)c1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
GAA P10253 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 2/20 0.55
PTK2B Q14289 2/20 0.55
KMT2A Q03164 2/20 0.55
ADRA2C P18825 1/20 0.55
GFER P55789 1/20 0.55
ESR2 Q92731 1/20 0.55
SIRT6 Q8N6T7 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
RORC P51449 2/20 0.45
CHKA P35790 1/20 0.45
HTR3A P46098 1/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL101926 0.84 ALDH1A1 (0.64) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL21388627 0.81 MAPT (0.60) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL15247281 0.81 MAPT (0.55) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL18509241 0.81 MAPT (0.55) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL14146896 0.81 MAPT (0.60) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL20354340 0.81 ALDH1A1 (0.55) MAPTGAAALDH1A1KDM4EPTK2B
SCHEMBL2427568 0.81 MAPT (0.60) MAPTGAAALDH1A1KDM4EPTK2B
Hydrochloric Acid SCHEMBL2426774 0.79 MAPT (0.58) MAPTGAAALDH1A1KDM4EPTK2B
Hydrochloric Acid SCHEMBL21378535 0.79 MAPT (0.58) MAPTGAAALDH1A1KDM4EPTK2B
Hydrochloric Acid SCHEMBL21378536 0.79 MAPT (0.58) MAPTGAAALDH1A1KDM4EPTK2B

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
CN-102834380-A Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH 2012-12-19 CN disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN MAPT 2260/4885GAA 3549/4885ALDH1A1 4236/4885

“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.