SCHEMBL127216

SCHEMBL127216

O=C(CC(c1ccccc1)c1ccccc1)NCCN1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.64
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
POLB P06746 2/20 0.58
HPGD P15428 2/20 0.55
GLA P06280 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIGMAR1 Q99720 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL126358 0.86 HPGD (0.71) KMT2APOLBHPGDGLASMN1; SMN2
SCHEMBL8296711 0.86 RAB9A (0.61) RAB9AMEN1KMT2APOLBHPGD
SCHEMBL8975616 0.81 RAB9A (0.94) RAB9AMEN1KMT2APOLBTP53
SCHEMBL126460 0.80 SMN1; SMN2 (0.63) POLBHPGDGLASMN1; SMN2ALDH1A1
SCHEMBL31220690 0.79 CYP3A4 (0.63) RAB9AMEN1KMT2ATP53CYP1A2
Hydrochloric Acid SCHEMBL11636520 0.78 RAB9A (1.00) RAB9AMEN1KMT2APOLBTP53
SCHEMBL130443 0.77 SMN1; SMN2 (0.60) RAB9APOLBHPGDGLASMN1; SMN2
SCHEMBL14530812 0.77 EPHX2 (0.63) RAB9AMEN1KMT2ASMN1; SMN2TSHR
SCHEMBL5406355 0.76 RAB9A (0.50) RAB9AMEN1KMT2APOLBSIGMAR1
SCHEMBL5404729 0.76 RAB9A (0.50) RAB9AMEN1KMT2APOLBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR GALAPAGOS SASU (FR) 2012-11-08 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
US-8247412-B2 Urea derivatives methods for their manufacture and uses thereof GALAPAGOS SASU (FR) 2012-08-21 US disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-1874765-B1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE AND USES THEREOF GALAPAGOS SAS (FR) 2012-03-07 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
EP-2354137-A1 Urea derivatives, methods for their manufacture, and uses thereof Galapagos SAS (FR) 2011-08-10 EP disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof PROSKELIA SAS (FR) 2010-09-23 US disclosed
EP-1874765-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF Proskelia SAS (FR) 2008-01-09 EP disclosed
WO-2006117211-A2 UREA DERIVATIVES METHODS FOR THEIR MANUFACTURE AND USES THEREOF PROSKELIA SAS (FR) 2006-11-09 WO disclosed
US-5236956-A Compounds for the treatment of urinary incontinence KABI PHARMACIA AKTIEBOLAG (SE) 1993-08-17 US disclosed
EP-0367040-B1 COMPOUNDS FOR THE TREATMENT OF URINARY INCONTINENCE Kabi Pharmacia AB (SE) 1993-04-21 EP disclosed
EP-0367040-A1 Compounds for the treatment of urinary incontinence Kabi Pharmacia AB (SE) 1990-05-09 EP 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 (2 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-20120283255-A1 UREA DERIVATIVES, METHODS FOR THEIR MANUFACTURE, AND USES THEREFOR UTS2R, UGP2, SLC14A1 RAB9A 3293/4885MEN1 953/4885KMT2A 2979/4885
US-20100240889-A1 Urea Derivatives Methods For Their Manufacture And Uses Thereof UGP2, UTS2R, UMPS RAB9A 2027/4885MEN1 1697/4885KMT2A 2648/4885

“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.