SCHEMBL16598993

SCHEMBL16598993

O=C(c1ccc(Cl)cc1)N1[CH]CNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
PHGDH O43175 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.42
MGLL Q99685 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KMT2A Q03164 1/20 0.41
AKR1C3 P42330 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
HTR3E A5X5Y0 1/20 0.40

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
SCHEMBL18425610 0.83 SIGMAR1 (0.59) ALDH1A1HPGDPOLBHSD17B10SIGMAR1
SCHEMBL17938729 0.82 PKM (0.46) ALDH1A1MGLLCA12CA1CA2
SCHEMBL16599091 0.79 P2RX7 (0.45) ALDH1A1MAPTKMT2A
SCHEMBL16599425 0.77 MAPT (0.42) ALDH1A1HPGDPOLBHSD17B10MAPT
SCHEMBL1256167 0.76 SIGMAR1 (0.68) ALDH1A1HPGDPOLBPHGDHHSD17B10
Hydrochloric Acid SCHEMBL10901857 0.75 SIGMAR1 (0.66) ALDH1A1HPGDPOLBPHGDHHSD17B10
SCHEMBL3459713 0.75 ALDH1A1 (0.49) ALDH1A1HPGDPOLBPHGDHHSD17B10
SCHEMBL3063116 0.71 SIGMAR1 (0.60) ALDH1A1HPGDPOLBPHGDHHSD17B10
SCHEMBL16598900 0.71 SMN1; SMN2 (0.46) ALDH1A1POLBMAPTLMNAGAA
SCHEMBL6961571 0.69

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 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 (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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS ALDH1A1 4277/4885HPGD 4503/4885POLB 3835/4885

“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.