SCHEMBL10310285

SCHEMBL10310285

N=C(N)NCCCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.50
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
RAD52 P43351 1/20 0.44
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2804470 0.94 ALDH1A1 (0.48) SIGMAR1ALDH1A1TSHRHRH3
Hydrochloric Acid SCHEMBL6339465 0.92 ALDH1A1 (0.47) SIGMAR1ALDH1A1TSHRHRH3RAD52
SCHEMBL2804989 0.92 ALDH1A1 (0.52) SIGMAR1ALDH1A1TSHRHRH3SMN1; SMN2
SCHEMBL10310276 0.86 CA12 (0.50) ALDH1A1TSHRMEN1CYP1A2KMT2A
Guanethidine SCHEMBL34753 0.84 CA12 (0.53) ALDH1A1TSHRHRH3MEN1CYP1A2
SCHEMBL8000929 0.84 CA12 (0.53) ALDH1A1TSHRHRH3MEN1CYP1A2
Guanethidine SCHEMBL15514378 0.82 CA12 (0.52) ALDH1A1TSHRMEN1CYP1A2KMT2A
Guanethidine SCHEMBL22127050 0.82 CA12 (0.52) ALDH1A1TSHRMEN1CYP1A2KMT2A
Guanethidine SCHEMBL3128359 0.82 CA12 (0.52) ALDH1A1TSHRMEN1CYP1A2KMT2A
SCHEMBL11050 0.82 SIGMAR1 (0.46) SIGMAR1HRH3RAD52

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
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 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 (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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 SIGMAR1 3832/4885ALDH1A1 4635/4885TSHR 4502/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 SIGMAR1 3832/4885ALDH1A1 4635/4885TSHR 4502/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 SIGMAR1 3832/4885ALDH1A1 4635/4885TSHR 4502/4885

“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.