SCHEMBL5658820

SCHEMBL5658820

NCCc1nc(-c2ccccc2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 1.00
TAAR1 Q96RJ0 1/20 0.97
ALDH1A1 P00352 5/20 0.59
MAPT P10636 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 4/20 0.59
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CD74 P04233 1/20 0.54
MIF P14174 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CYP3A4 P08684 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52

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 SCHEMBL17261468 0.98 TAAR1 (1.00) LOXL2TAAR1ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL7504450 0.98 TAAR1 (1.00) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL2226129 0.90 LOXL2 (0.81) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL19953425 0.86 LOXL2 (1.00) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL2226853 0.85 LOXL2 (0.74) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL2226420 0.83 LOXL2 (0.71) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL2225970 0.83 LOXL2 (0.71) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL15087597 0.82 LOXL2 (0.70) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL28817512 0.82 LOXL2 (0.70) LOXL2TAAR1ALDH1A1MAPTMEN1
SCHEMBL11697025 0.82 LOXL2 (0.70) LOXL2TAAR1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
US-7285563-B2 Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2007-10-23 US disclosed
US-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain MERCK SHARP & DOHME LTD. (GB) 2005-05-19 US disclosed
EP-1490340-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2004-12-29 EP disclosed
WO-2003080578-A1 HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2003-10-02 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-20050107388-A1 Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain ARRB1, OPRL1, CNR1 LOXL2 3042/4885TAAR1 175/4885ALDH1A1 1267/4885

“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.