SCHEMBL10062535

SCHEMBL10062535

CN(C)c1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.96

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHKA P35790 15/20 0.96
ALDH1A1 P00352 2/20 0.72
LMNA P02545 2/20 0.72
HTT P42858 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
CHKB Q9Y259 1/20 0.63
KDM4A O75164 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55

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
SCHEMBL10062537 0.92 CHKA (1.00) CHKAALDH1A1LMNAHTTSMN1; SMN2
Bromide SCHEMBL29616684 0.91 CHKA (1.00) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL17190307 0.88 CHKA (0.76) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL16378602 0.88 CHKA (0.90) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13851327 0.85 CHKA (0.71) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1108048 0.84 CHKA (1.00) CHKAALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL580650 0.82 CHKA (0.96) CHKAALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1108058 0.82 CHKA (1.00) CHKAALDH1A1LMNAHTTSMN1; SMN2
Fluoride Ion SCHEMBL126024 0.81 CHKA (0.93) CHKAALDH1A1LMNAHTTSMN1; SMN2
Fluoride Ion SCHEMBL126023 0.81 CHKA (0.93) CHKAALDH1A1LMNAHTTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2015-04-09 US disclosed
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2015-04-09 US disclosed
US-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L (ES) 2015-01-01 US disclosed
US-20120040021-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2012-02-16 US disclosed
US-20110256241-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2011-10-20 US disclosed
US-20110250179-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2011-10-13 US disclosed
US-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TRASLATIONAL CANCER DRUGS PHARMA, S.L. (ES) 2010-03-18 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 (6 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-20110256241-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, CHKA, ASAH2 CHKA 2/4885ALDH1A1 1787/4885LMNA 2733/4885
US-20150098927-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER CHKA, CHKB, CEPT1 CHKA 1/4885ALDH1A1 2519/4885LMNA 3125/4885
US-20100068302-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, ACER2, ASAH2 CHKA 4/4885ALDH1A1 1928/4885LMNA 2716/4885
US-20150004252-A1 METHOD FOR PREDICTING THE CLINICAL RESPONSE TO CHEMOTHERAPY IN A SUBJECT WITH CANCER CHKA, CHKB, DCK CHKA 1/4885ALDH1A1 2595/4885LMNA 4596/4885
US-20110250179-A1 METHODS FOR TREATMENT AND DIAGNOSIS OF CANCER CHKA, CHKB, CEPT1 CHKA 1/4885ALDH1A1 2519/4885LMNA 3125/4885
US-20120040021-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF CANCER ASAH1, ACER2, ASAH2 CHKA 4/4885ALDH1A1 1928/4885LMNA 2716/4885

“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.