SCHEMBL1856539

SCHEMBL1856539

Brc1cc2c(cc1Br)OCCCO2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
HPGD P15428 1/20 0.50
AHR P35869 4/20 0.48
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL4 Q8NA19 1/20 0.46
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.35

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
SCHEMBL3526305 0.88 AHR (0.53) SMN1; SMN2HPGDAHRNPC1RAB9A
SCHEMBL24824320 0.87 SMN1; SMN2 (0.50) SMN1; SMN2HPGDAHRNPC1RAB9A
SCHEMBL9966856 0.84 SMN1; SMN2 (0.52) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL8431128 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HPGDAHRNPC1RAB9A
SCHEMBL14583969 0.81 MAPT (0.61) SMN1; SMN2AHRMAPTLMNAHTT
SCHEMBL31633230 0.81 MAPT (0.61) SMN1; SMN2AHRMAPTLMNAHTT
SCHEMBL8431565 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HPGDAHRNPC1RAB9A
SCHEMBL17206884 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HPGDAHRNPC1RAB9A
SCHEMBL38653375 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL15152237 0.79 SMN1; SMN2 (0.51) SMN1; SMN2HPGDNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-8673890-B2 2,3-dihydro-1H-isoindol-1-imine derivatives useful as thrombin PAR-1 receptor antagonist JANSSEN PHARMACEUTICA NV (BE) 2014-03-18 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
US-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST JANSSEN PHARMACEUTICA NV (BE) 2011-05-05 US disclosed
EP-0470099-B1 HAIR COLORANTS HENKEL KGAA (DE) 1993-11-03 EP disclosed
EP-0470099-A1 HAIR COLORANTS. HENKEL KGAA (DE) 1992-02-12 EP disclosed
WO-1990012562-A1 HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-11-01 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-20110105490-A1 2,3-DIHYDRO-1H-ISOINDOL-1-IMINE DERIVATIVES USEFUL AS THROMBIN PAR-1 RECEPTOR ANTAGONIST F2R, F2RL1, F2RL3 SMN1; SMN2 3382/4885HPGD 203/4885AHR 546/4885

“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.