SCHEMBL605449

SCHEMBL605449

Cc1cccc(CN)c1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
IDH1 O75874 2/20 0.46
TAAR1 Q96RJ0 1/20 0.42
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR7 P34969 1/20 0.40
CALM1 P0DP23 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
DPP4 P27487 1/20 0.38
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL146769 0.88 IDH1 (0.47) HTR2AIDH1TAAR1HPGDSMN1; SMN2
SCHEMBL29532678 0.88 IDH1 (0.47) HTR2AIDH1TAAR1HPGDSMN1; SMN2
SCHEMBL9719201 0.88 IDH1 (0.47) HTR2AIDH1TAAR1HPGDSMN1; SMN2
SCHEMBL16267990 0.86 HTR2A (0.53) HTR2ALOXL2TAAR1HPGDSMN1; SMN2
SCHEMBL27213651 0.85 IDH1 (0.45) HTR2AIDH1TAAR1SMN1; SMN2CALM1
SCHEMBL28002608 0.83 IDH1 (0.47) HTR2AIDH1SMN1; SMN2CALM1CYP3A4
SCHEMBL7918609 0.82 CALM1 (0.52) LOXL2IDH1TAAR1HPGDSMN1; SMN2
SCHEMBL3000166 0.81 HTR2A (0.44) HTR2AIDH1TAAR1CALM1CYP3A4
SCHEMBL3670971 0.80 TAAR1 (0.46) HTR2ALOXL2TAAR1HTR7TSHR
SCHEMBL1238833 0.78 HTR2A (0.68) HTR2ALOXL2TAAR1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 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 (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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 HTR2A 2551/4885LOXL2 3611/4885IDH1 2680/4885

“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.