SCHEMBL2017733

SCHEMBL2017733

c1ccc(CCNC2=NCCS2)cc1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.82
NPSR1 Q6W5P4 1/20 0.82
TSHR P16473 1/20 0.67
L3MBTL1 Q9Y468 2/20 0.58
ATM Q13315 1/20 0.58
EPHX2 P34913 1/20 0.54
POLB P06746 1/20 0.53
NPY1R P25929 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 1/20 0.48
MMP3 P08254 1/20 0.48
GAA P10253 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL2015708 0.83 ALDH1A1 (0.58) ALDH1A1NPSR1TSHRL3MBTL1ATM
Hydrochloric Acid SCHEMBL4211382 0.81 ALDH1A1 (0.56) ALDH1A1NPSR1TSHRL3MBTL1ATM
Hydrochloric Acid SCHEMBL8573312 0.75 POLB (0.58) ALDH1A1NPSR1TSHRPOLBNPY1R
SCHEMBL13956095 0.71 ALDH1A1 (0.52) ALDH1A1NPSR1L3MBTL1EPHX2SMN1; SMN2
SCHEMBL4217069 0.70 ADRA2A (0.52) ALDH1A1NPSR1TSHRL3MBTL1ATM
SCHEMBL3708273 0.70 HSD17B10 (0.55) ALDH1A1NPSR1L3MBTL1POLBKDM4E
SCHEMBL11349824 0.69 SMN1; SMN2 (0.48) ALDH1A1NPSR1TSHRL3MBTL1ATM
SCHEMBL9658772 0.68 POLB (0.70) ALDH1A1NPSR1POLBSMN1; SMN2KDM4E
SCHEMBL11132646 0.67 CXCR4 (0.56) ALDH1A1NPSR1TSHRL3MBTL1EPHX2
SCHEMBL11344295 0.67 NPC1 (0.51) ALDH1A1NPSR1TSHRL3MBTL1ATM

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
US-8221775-B2 Pyrrolin-2-ylamino compounds for combating animal pests BASF SE (DE) 2012-07-17 US disclosed
EP-2346822-A1 PYRROLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2011-07-27 EP disclosed
US-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests BASF SE 2011-06-30 US disclosed
WO-2010029069-A1 PYRROLIN-2-YLAMINO COMPOUNDS FOR COMBATING ANIMAL PESTS BASF SE (DE) 2010-03-18 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-20110160269-A1 Pyrrolin-2-ylamino Compounds For Combating Animal Pests RXFP3, CBR3, ATL3 ALDH1A1 2824/4885NPSR1 285/4885TSHR 226/4885

“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.