SCHEMBL4080440

SCHEMBL4080440

Cc1ccccc1-c1nc2ccc(I)cc2c(=O)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL4085165 1.00 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4080197 0.86 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2685097 0.84 GUSB (0.70) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1461157 0.83 GUSB (0.68) HPGDNPC1RAB9AALDH1A1HTT
SCHEMBL29784109 0.83 GUSB (0.68) HPGDNPC1RAB9AALDH1A1HTT
SCHEMBL11381348 0.82 EGLN1 (0.54) HPGDNPC1RAB9AALDH1A1HTT
Ammonia Solution, Strong SCHEMBL2685964 0.79 GUSB (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4188092 0.77 GUSB (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6014177 0.76 TYMS (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Ammonia Solution, Strong SCHEMBL2685962 0.76 GUSB (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20160158390-A1 Methods for Tumor Diagnosis and Therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-06-09 US disclosed
US-9186425-B2 Methods for tumor diagnosis and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-11-17 US disclosed
US-20140178298-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-26 US disclosed
US-20120213701-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-08-23 US disclosed
US-8168159-B2 Compounds for tumor diagnosis and therapy PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-01 US disclosed
US-20090285755-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-11-19 US disclosed
US-7514067-B2 Complexing enzyme with antibody; trapping within tumor PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-07 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 (4 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-20120213701-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY FOLH1, DNPEP, ENPEP TUBB4A 1957/4885TUBB 1956/4885TUBA3C 2741/4885
US-20090285755-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY FOLH1, DNPEP, ENPEP TUBB4A 1957/4885TUBB 1956/4885TUBA3C 2741/4885
US-20140178298-A1 METHODS FOR TUMOR DIAGNOSIS AND THERAPY FOLH1, DNPEP, ENPEP TUBB4A 1957/4885TUBB 1956/4885TUBA3C 2741/4885
US-20160158390-A1 Methods for Tumor Diagnosis and Therapy FOLH1, DNPEP, ENPEP TUBB4A 1957/4885TUBB 1956/4885TUBA3C 2741/4885

“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.