SCHEMBL10089254

SCHEMBL10089254

OCc1nc2ccccc2n1Cc1ccc2ccccc2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 1/20 0.61
▸ POLB P06746 1/20 0.57
▸ TSHR P16473 2/20 0.55
▸ TNF P01375 1/20 0.55
▸ HTR3A P46098 1/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ TP53 P04637 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 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
SCHEMBL19985155 0.86 RAB9A (0.68) VDRTSHRHTR3AKMT2ALMNA
SCHEMBL15568834 0.83 POLB (0.74) POLBTSHRTNFKMT2ALMNA
SCHEMBL13186949 0.82 HIF1A (0.67) POLBTSHRTNFKMT2ALMNA
SCHEMBL12771528 0.81 LMNA (0.69) POLBTSHRTNFKMT2ALMNA
SCHEMBL13508302 0.81 SMN1; SMN2 (0.72) POLBTSHRTNFKMT2ALMNA
SCHEMBL28425645 0.80 MAPT (0.67) POLBTSHRTNFKMT2AMEN1
SCHEMBL29870251 0.80 MAPT (0.67) POLBTSHRTNFKMT2AMEN1
SCHEMBL9682433 0.77 TBXA2R (0.77) —
SCHEMBL10572147 0.76 TBXA2R (0.66) POLBKMT2ALMNAMEN1ALDH1A1
SCHEMBL30898296 0.74 KMT2A (0.64) VDRTSHRHTR3AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION Universite Paris-Saclay (FR) 2017-03-23 — — US disclosed
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION Universite Paris-Saclay (FR) 2017-03-23 — — US disclosed
US-20120040974-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-02-16 — — US disclosed
US-20120040974-A1 MIF MODULATORS YALE UNIVERSITY (US) 2012-02-16 — — 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 (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-20120040974-A1 MIF MODULATORS MIF, HMGB2, HMGB3 VDR 661/4885POLB 3527/4885TSHR 2619/4885
US-20170079958-A1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION MIF, CCL11, PGF VDR 3355/4885POLB 3475/4885TSHR 2496/4885

“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.

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