SCHEMBL4413307

SCHEMBL4413307

C/C(=N/Nc1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.69
KMT2A Q03164 7/20 0.69
MEN1 O00255 6/20 0.69
RAB9A P51151 4/20 0.69
MAPT P10636 7/20 0.63
ALDH1A1 P00352 7/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 3/20 0.63
HPGD P15428 1/20 0.63
POLB P06746 3/20 0.57
LMNA P02545 3/20 0.53
ATM Q13315 1/20 0.53
METTL3 Q86U44 1/20 0.53
PKM P14618 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 3/20 0.51
GFER P55789 2/20 0.50
NFKB1 P19838 1/20 0.50
OPRK1 P41145 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
SCHEMBL13345208 1.00 GAA (0.69) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL3273659 1.00 GAA (0.69) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL11325422 0.88 MEN1 (0.61) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL28874997 0.88 MEN1 (0.57) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL11325414 0.88 MAPT (0.60) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL11726036 0.88 MEN1 (0.57) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL15187708 0.88 RAB9A (0.57) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL23392561 0.87 MEN1 (0.64) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL10403469 0.87 MEN1 (0.64) GAAKMT2AMEN1RAB9AMAPT
SCHEMBL22160190 0.87 ALDH1A1 (0.71) GAAKMT2AMEN1RAB9AMAPT

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-11999720-B2 Pyrazolylacylpyrazoline compounds and method for treating pain THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-06-04 US disclosed
US-11279677-B2 Photochromic hydrazone switches THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-03-22 US disclosed
US-20210155609-A1 PYRAZOLYLACYLPYRAZOLINE COMPOUNDS AND METHOD FOR TREATING PAIN THE TRUSTEES OF INDIANA UNIVERSITY 2021-05-27 US disclosed
US-20190256472-A1 PHOTOCHROMIC HYDRAZONE SWITCHES DARTMOUTH COLLEGE (US) 2019-08-22 US disclosed
US-8188080-B2 VHR protein tyrosine phosphatase inhibitors, compositions and methods of use SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-05-29 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 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 (5 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-20210155609-A1 PYRAZOLYLACYLPYRAZOLINE COMPOUNDS AND METHOD FOR TREATING PAIN ACHE, TRPV1, GRIK3 GAA 1154/4885KMT2A 3198/4885MEN1 4046/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP GAA 1857/4885KMT2A 2032/4885MEN1 4459/4885
US-20190256472-A1 PHOTOCHROMIC HYDRAZONE SWITCHES CRYZ, PIN1, PPOX GAA 4201/4885KMT2A 792/4885MEN1 2778/4885
US-11279677-B2 Photochromic hydrazone switches CRYZ, PIN1, PPOX GAA 4201/4885KMT2A 792/4885MEN1 2778/4885
US-11999720-B2 Pyrazolylacylpyrazoline compounds and method for treating pain ACHE, TRPV1, GRIK3 GAA 1154/4885KMT2A 3198/4885MEN1 4046/4885

“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.