SCHEMBL2384053

SCHEMBL2384053

O=C(Nc1cccc2ccccc12)N1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 15/20 0.70
ALDH1A1 P00352 7/20 0.70
HSD17B10 Q99714 7/20 0.70
TSHR P16473 1/20 0.70
POLB P06746 3/20 0.67
LMNA P02545 2/20 0.62
USP2 O75604 1/20 0.62
ALOX15 P16050 1/20 0.62
MAPK1 P28482 1/20 0.62
KMT2A Q03164 1/20 0.62
TAAR1 Q96RJ0 1/20 0.61
PKM P14618 1/20 0.61
HRH4 Q9H3N8 1/20 0.57
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 1/20 0.53
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

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
Hydrochloric Acid SCHEMBL5492081 0.99 KDM4E (0.68) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL27979659 0.89 KDM4E (0.85) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL6852418 0.86 KDM4E (0.76) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL830750 0.85 KDM4E (0.74) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL4729693 0.82 KDM4E (0.59) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL2656688 0.82 KDM4E (0.62) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL1623839 0.82 KDM4E (1.00) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL20887176 0.82 KDM4E (0.70) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL20886934 0.80 POLB (0.55) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL20886952 0.80 POLB (0.55) KDM4EALDH1A1HSD17B10TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 US disclosed
US-20060211707-A1 Piperazine-alkyl-ureido derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-09-21 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-20060211707-A1 Piperazine-alkyl-ureido derivatives ADRA2C, UTS2R, ADRB2 KDM4E 1924/4885ALDH1A1 2026/4885HSD17B10 4289/4885
US-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR KDM4E 486/4885ALDH1A1 3053/4885HSD17B10 3740/4885

“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.