SCHEMBL3459713

SCHEMBL3459713

O=C(c1ccc(Cl)cc1)N1[CH]CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 1/20 0.49
PHGDH O43175 1/20 0.49
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.45
MGLL Q99685 1/20 0.45
CHRNA7 P36544 1/20 0.44
PGR P06401 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
AKR1C3 P42330 1/20 0.44
GLA P06280 1/20 0.43
AVPR2 P30518 1/20 0.43
AVPR1A P37288 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
SCHEMBL1525473 0.81 HPGD (0.53) ALDH1A1HPGDKMT2AMAPT
SCHEMBL3459574 0.79 HPGD (0.60) ALDH1A1HPGDPOLBKMT2AAVPR2
SCHEMBL3458943 0.79 RECQL (0.46) ALDH1A1HSD17B10HPGDKMT2ACHRNA7
SCHEMBL4050708 0.79 HPGD (0.46) ALDH1A1HPGDKMT2AMAPTMGLL
SCHEMBL1927948 0.76 HPGD (0.56) ALDH1A1HSD17B10HPGDKMT2AMAPT
SCHEMBL3458396 0.76 NAAA (0.52) ALDH1A1POLBKMT2ACHRNA7
SCHEMBL28020408 0.75 HPGD (0.59) ALDH1A1HSD17B10HPGDPOLBKMT2A
SCHEMBL16598993 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDPOLBPHGDH
SCHEMBL7973168 0.74 HPGD (0.42) ALDH1A1HSD17B10HPGDPOLBKMT2A
SCHEMBL4251742 0.73 KMT2A (0.77) ALDH1A1HSD17B10HPGDPOLBPHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2144874-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS Amira Pharmaceuticals, Inc. (US) 2010-01-20 EP disclosed
WO-2008141011-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-20 WO disclosed
US-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2007-09-20 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-20070225285-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALDH1A1 1358/4885HSD17B10 572/4885HPGD 81/4885
US-20070219206-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, ALOX15B, ALOX15 ALDH1A1 1358/4885HSD17B10 572/4885HPGD 81/4885

“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.