SCHEMBL894461

SCHEMBL894461

O=P1(Cc2ccc(F)cc2)CC[N]CC1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
HPGD P15428 1/20 0.33
TAAR1 Q96RJ0 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CTBP2 P56545 1/20 0.33
CPA1 P15085 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
AGXT P21549 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL894716 0.78 ALDH1A1 (0.39) IDO1LOXL2HPGDALDH1A1POLB
Hydrochloric Acid SCHEMBL893798 0.76 ALDH1A1 (0.38) IDO1LOXL2ALDH1A1POLBAGXT
SCHEMBL10269762 0.75 SMN1; SMN2 (0.39) HPGDALDH1A1POLBLMNA
SCHEMBL2611685 0.71 HPGD (0.39) HPGDALDH1A1POLB
SCHEMBL893730 0.70 BCHE (0.51)
SCHEMBL2298642 0.62 STAT3 (0.43)
SCHEMBL2098314 0.62 KDM4E (0.56)
SCHEMBL5822005 0.59 IDO1 (0.34) IDO1LOXL2TAAR1AGXT
SCHEMBL23461 0.58
SCHEMBL15734925 0.57 IDO1 (0.46) IDO1LOXL2TAAR1AGXT

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
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 US disclosed
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO 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 (3 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-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC IDO1 1595/4885LOXL2 777/4885HPGD 1544/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC IDO1 1595/4885LOXL2 777/4885HPGD 1544/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC IDO1 1595/4885LOXL2 777/4885HPGD 1544/4885

“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.